Aminocarbamodithioic acid (CED0000077)

Record Information

Version

1.0

Creation Date

2026-08-26 00:16:40 UTC

Update Date

2026-08-26 00:16:40 UTC

SynCED ID

CED0000077

Secondary Accession Numbers

CHEM272726

Identification

Common Name

Aminocarbamodithioic acid

Class

Small Molecule

Description

Aminocarbamodithioic acid belongs to the organosulfur compounds, a superclass within the organic compounds. It has the chemical formula CH4N2S2 and an average molecular weight of 108.19 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

CH₄N₂S₂

Average Molecular Mass

108.190 g/mol

Monoisotopic Mass

107.982 g/mol

CAS Registry Number

471-32-9

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/CH4N2S2/c2-3-1(4)5/h2H2,(H2,3,4,5)

InChI Key

YNNGZCVDIREDDK-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
187.0 Log mg/kg [100:330]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	Not Available
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	Not Available
CEDs000580	Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.	Industrial manufacturing & chemical processing	Not Available
CEDs000596	Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.	Agriculture & land management	Not Available
CEDs000603	Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.	Agriculture & land management	Not Available
CEDs000614	Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.	Personal care & cosmetics	Not Available
CEDs000659	Transfer Printing?Transfer printing is a process used to apply designs and patterns onto various substrates, commonly utilizing synthetic dyes and inks that can contain hazardous chemicals.	Textiles, leather & furnishings	Not Available
CEDs000678	Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.	Agriculture & land management	Not Available
CEDs000679	Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.	Agriculture & land management	Not Available
CEDs000684	Cements?Cements are a composite material primarily used as a binding agent in construction applications, formed by the calcination of limestone and clay minerals at high temperatures.	Building & Construction	Not Available
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	Not Available
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	Not Available
CEDs000735	Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.	Defense & military infrastructure	Not Available
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	Not Available
CEDs000743	Sludge Treatment?Sludge treatment involves the processing of waste materials generated from wastewater treatment plants, which often contain a variety of organic and inorganic substances.	Wastewater, sanitation & biosolids	Not Available
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	Not Available

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.155 Applicability Domain 0.214 Low confidence Statistical Significance 0.9552 Supporting Reference Compounds 472 E-value 7435.85
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.15 Applicability Domain 0.214 Low confidence Statistical Significance 0.9578 Supporting Reference Compounds 407 E-value 7456.48
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.148 Applicability Domain 0.214 Low confidence Statistical Significance 0.96 Supporting Reference Compounds 372 E-value 7473.91
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.214 Low confidence Statistical Significance 0.9426 Supporting Reference Compounds 242 E-value 7337.91
Click to view 3D structure	Alpha carbonic anhydrase	B5SU02	Stylophora pistillata	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.214 Low confidence Statistical Significance 0.3543 Supporting Reference Compounds 43 E-value 2758.51
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.214 Low confidence Statistical Significance 0.932 Supporting Reference Compounds 151 E-value 7255.63
Click to view 3D structure	Carbonic anhydrase	C0IX24	Stylophora pistillata	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.214 Low confidence Statistical Significance 0.3542 Supporting Reference Compounds 41 E-value 2757.34
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.139 Applicability Domain 0.214 Low confidence Statistical Significance 0.9605 Supporting Reference Compounds 193 E-value 7477.57
Click to view 3D structure	Cruzipain	P25779	Trypanosoma cruzi	Predicted (SEA)	Prediction Confidence Score 0.133 Applicability Domain 0.161 Low confidence Statistical Significance 0.9529 Supporting Reference Compounds 65 E-value 7418.56
Click to view 3D structure	Carbonic anhydrase	P40881	Methanosarcina thermophila	Predicted (SEA)	Prediction Confidence Score 0.13 Applicability Domain 0.214 Low confidence Statistical Significance 0.2101 Supporting Reference Compounds 22 E-value 1635.61
Click to view 3D structure	Tyrosinase	O42713	Agaricus bisporus	Predicted (SEA)	Prediction Confidence Score 0.123 Applicability Domain 0.179 Low confidence Statistical Significance 0.6011 Supporting Reference Compounds 39 E-value 4679.28
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.119 Applicability Domain 0.138 Low confidence Statistical Significance 0.9972 Supporting Reference Compounds 332 E-value 7763.44
Click to view 3D structure	Astrosclerin-3	A6YCJ1	Astrosclera willeyana	Predicted (SEA)	Prediction Confidence Score 0.118 Applicability Domain 0.154 Low confidence Statistical Significance 0.7854 Supporting Reference Compounds 44 E-value 6114.59
Click to view 3D structure	Carbonic anhydrase 4	Q95323	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.117 Applicability Domain 0.146 Low confidence Statistical Significance 0.8852 Supporting Reference Compounds 64 E-value 6891.21
Click to view 3D structure	Beta-carbonic anhydrase 1	P9WPJ7	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.115 Applicability Domain 0.138 Low confidence Statistical Significance 0.9233 Supporting Reference Compounds 55 E-value 7187.74
Click to view 3D structure	Carbonic anhydrase	P53615	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.115 Applicability Domain 0.154 Low confidence Statistical Significance 0.8 Supporting Reference Compounds 34 E-value 6228.09
Click to view 3D structure	Urease	P07374	Canavalia ensiformis	Predicted (SEA)	Prediction Confidence Score 0.114 Applicability Domain 0.154 Low confidence Statistical Significance 0.3129 Supporting Reference Compounds 10 E-value 2436.29
Click to view 3D structure	Dual specificity protein phosphatase 3	P51452	Humans	Predicted (SEA)	Prediction Confidence Score 0.113 Applicability Domain 0.158 Low confidence Statistical Significance 0.9946 Supporting Reference Compounds 147 E-value 7742.96
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 11	Q06124	Humans	Predicted (SEA)	Prediction Confidence Score 0.113 Applicability Domain 0.158 Low confidence Statistical Significance 0.9956 Supporting Reference Compounds 109 E-value 7750.75
Click to view 3D structure	Trace amine-associated receptor 1	Q96RJ0	Humans	Predicted (SEA)	Prediction Confidence Score 0.108 Applicability Domain 0.156 Low confidence Statistical Significance 0.9916 Supporting Reference Compounds 63 E-value 7719.22
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	Prediction Confidence Score 0.108 Applicability Domain 0.111 Low confidence Statistical Significance 0.9978 Supporting Reference Compounds 157 E-value 7767.72
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	Prediction Confidence Score 0.108 Applicability Domain 0.111 Low confidence Statistical Significance 0.9984 Supporting Reference Compounds 165 E-value 7772.31
Click to view 3D structure	Delta carbonic anhydrase	Q5U9J1	Conticribra weissflogii	Predicted (SEA)	Prediction Confidence Score 0.108 Applicability Domain 0.125 Low confidence Statistical Significance 0.8936 Supporting Reference Compounds 35 E-value 6956.68
Click to view 3D structure	Aspartate-semialdehyde dehydrogenase	O25801	Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)	Predicted (SEA)	Prediction Confidence Score 0.107 Applicability Domain 0.107 Low confidence Statistical Significance 0.0477 Supporting Reference Compounds 1 E-value 371.107
Click to view 3D structure	Carbonic anhydrase	Q6FTL6	Candida glabrata CBS 138	Predicted (SEA)	Prediction Confidence Score 0.106 Applicability Domain 0.111 Low confidence Statistical Significance 0.9465 Supporting Reference Compounds 46 E-value 7368.2