Carbamodithioic acid, N,N-dimethyl-, sodium salt (1:1) (CED0191827)

Record Information

Version

1.0

Creation Date

2026-04-06 04:24:03 UTC

Update Date

2026-05-20 17:26:55 UTC

SynCED ID

CED0191827

Secondary Accession Numbers

CHEM117491

Identification

Common Name

Carbamodithioic acid, N,N-dimethyl-, sodium salt (1:1)

Class

Small Molecule

Description

Carbamodithioic acid, N,N-dimethyl-, sodium salt (1:1) belongs to the organic alkali metal salts, a subclass of organic metal salts within the organic compounds. This organic salt has the formula C3H6NNaS2 and an average molecular weight of 143.20 g/mol. It has been found in or released from one recorded source: agriculture and land management pesticides. Recorded exposure routes for this compound include inhalation and oral.

Contaminant Type

Pesticide

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₃H₆NNaS₂

Average Molecular Mass

143.200 g/mol

Monoisotopic Mass

142.984 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

[Na+].CN(C)C([S-])=S

InChI Identifier

InChI=1S/C3H7NS2.Na/c1-4(2)3(5)6;/h1-2H3,(H,5,6);/q;+1/p-1

InChI Key

VMSRVIHUFHQIAL-UHFFFAOYSA-M

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

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-1900000000-5dc192512541303edde1	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-9100000000-d5c89a42466cb359a237	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0077-9100000000-a44b92552b746cd68c40	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-2900000000-ea335193b8b46558cb5d	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-3900000000-90d4113b4855764bccf8	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udj-9600000000-874ea5d22ad0f8b2e981	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-0900000000-64a218dd202272e73186	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-9400000000-543d71738bf4f3784b85	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4j-9000000000-ae87d9c677d74f51d56a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-0900000000-6c5355f845602f441a5a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udl-9800000000-b0e8ba9abafd8583d94c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-9000000000-51e165e98ab6a41905f2	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
1118.0 Log mg/kg [630:2000]	Rat	LD50	oral	predicted	Not Available	Not Available
300.0 mg/kg-day	Mouse	LOEL	dermal	experimental	Not Available	ECOTOX - EPA ORD
150.0 mg/kg-day	Rat	LOEL	injection	experimental	Not Available	ECOTOX - EPA ORD
200.0 mg/kg-day	Rat	LOEL	injection	experimental	Not Available	ECOTOX - EPA ORD
0.1 mmol/kg	Rat	LOEL	injection	experimental	Not Available	ECOTOX - EPA ORD
200.0 mg/kg-day	Mouse	NOEL	injection	experimental	Not Available	ECOTOX - EPA ORD
300.0 mg/kg-day	Mouse	LOEL	dermal	experimental	Not Available	ECOTOX - EPA ORD
500.0 mg/kg-day	Rat	NOEL	injection	experimental	Not Available	ECOTOX - EPA ORD
0.3 mmol	Rat	LOEL	injection	experimental	Not Available	ECOTOX - EPA ORD
50.0 mg/kg-day	Rat	LOEL	injection	experimental	Not Available	ECOTOX - EPA ORD
250.0 mg/kg-day	Mouse	LOEL	injection	experimental	Not Available	ECOTOX - EPA ORD
300.0 mg/kg-day	Mouse	LOEL	dermal	experimental	Not Available	ECOTOX - EPA ORD
50.0 mg/kg-day	Mouse	LOEL	injection	experimental	Not Available	ECOTOX - EPA ORD
150.0 mg/kg-day	Rat	LOEL	injection	experimental	Not Available	ECOTOX - EPA ORD
0.2 mmol/kg	Rat	NOEL	injection	experimental	Not Available	ECOTOX - EPA ORD
0.1 mmol	Rat	LOEL	injection	experimental	Not Available	ECOTOX - EPA ORD
0.03 mmol	Rat	NOEL	injection	experimental	Not Available	ECOTOX - EPA ORD
0.1 mmol/kg	Rat	LOEL	injection	experimental	Not Available	ECOTOX - EPA ORD
0.05 mmol/kg	Rat	NOEL	injection	experimental	Not Available	ECOTOX - EPA ORD
250.0 mg/kg-day	Mouse	LOEL	injection	experimental	Not Available	ECOTOX - EPA ORD
300.0 mg/kg-day	Mouse	NOEL	dermal	experimental	Not Available	ECOTOX - EPA ORD
500.0 mg/kg-day	Mouse	LOEL	injection	experimental	Not Available	ECOTOX - EPA ORD
300.0 mg/kg-day	Mouse	NOEL	dermal	experimental	Not Available	ECOTOX - EPA ORD
1.0 mmol/kg	Mouse	LOEL	oral	experimental	Not Available	ECOTOX - EPA ORD

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	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000007	Pesticides?Pesticides are synthetic chemicals designed to prevent, destroy, or control pests that threaten crops and agricultural productivity.	Agriculture & land management	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 1	Q9V396	Drosophila melanogaster	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.474 Statistical Significance 2.00e-05 Supporting Reference Compounds 4 E-value 0.155698
Click to view 3D structure	Carbonic anhydrase 2, isoform A	Q9VTU8	Drosophila melanogaster	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.474 Statistical Significance 2.00e-05 Supporting Reference Compounds 4 E-value 0.155698
Click to view 3D structure	Histone-lysine N-methyltransferase EHMT2	Q96KQ7	Humans	Predicted (SEA)	Prediction Confidence Score 0.246 Applicability Domain 0.474 Statistical Significance 0.03 Supporting Reference Compounds 52 E-value 233.937
Click to view 3D structure	Monoglyceride lipase	Q99685	Humans	Predicted (SEA)	Prediction Confidence Score 0.241 Applicability Domain 0.389 Statistical Significance 0.0453 Supporting Reference Compounds 76 E-value 352.735
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.474 Statistical Significance 0.1706 Supporting Reference Compounds 332 E-value 1328.26
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.474 Statistical Significance 0.2138 Supporting Reference Compounds 372 E-value 1664.42
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.232 Applicability Domain 0.474 Statistical Significance 0.2724 Supporting Reference Compounds 472 E-value 2121.0
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.474 Statistical Significance 0.2375 Supporting Reference Compounds 407 E-value 1849.0
Click to view 3D structure	Gasdermin-D	P57764	Humans	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.227 Low confidence Statistical Significance 9.00e-05 Supporting Reference Compounds 2 E-value 0.700643
Click to view 3D structure	Gasdermin-D	Q9D8T2	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.227 Low confidence Statistical Significance 9.00e-05 Supporting Reference Compounds 2 E-value 0.700643
Click to view 3D structure	Carbamate kinase	O97438	Giardia intestinalis	Predicted (SEA)	Prediction Confidence Score 0.217 Applicability Domain 0.217 Low confidence Statistical Significance 8.00e-05 Supporting Reference Compounds 1 E-value 0.622794
Click to view 3D structure	Fructose-1,6-bisphosphatase 1	P09467	Humans	Predicted (SEA)	Prediction Confidence Score 0.208 Applicability Domain 0.389 Statistical Significance 0.0268 Supporting Reference Compounds 28 E-value 208.558
Click to view 3D structure	Aldehyde dehydrogenase 1A1	P00352	Humans	Predicted (SEA)	Prediction Confidence Score 0.195 Applicability Domain 0.389 Statistical Significance 0.0927 Supporting Reference Compounds 31 E-value 721.351
Click to view 3D structure	Replicase polyprotein 1ab	P0DTD1	SARS-CoV-2	Predicted (SEA)	Prediction Confidence Score 0.19 Applicability Domain 0.389 Statistical Significance 0.5453 Supporting Reference Compounds 215 E-value 4245.2
Click to view 3D structure	Aldehyde dehydrogenase, mitochondrial	P05091	Humans	Predicted (SEA)	Prediction Confidence Score 0.173 Applicability Domain 0.389 Statistical Significance 0.115 Supporting Reference Compounds 24 E-value 895.655
Click to view 3D structure	D-3-phosphoglycerate dehydrogenase	O43175	Humans	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.259 Low confidence Statistical Significance 0.0804 Supporting Reference Compounds 12 E-value 626.297
Click to view 3D structure	Lysyl oxidase homolog 2	Q9Y4K0	Humans	Predicted (SEA)	Prediction Confidence Score 0.161 Applicability Domain 0.389 Statistical Significance 0.3632 Supporting Reference Compounds 26 E-value 2827.17
Click to view 3D structure	Protein-lysine 6-oxidase	P28300	Humans	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.389 Statistical Significance 0.2297 Supporting Reference Compounds 17 E-value 1788.43
Click to view 3D structure	Photosystem II protein D1	P06402	Marchantia polymorpha	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.161 Low confidence Statistical Significance 0.1358 Supporting Reference Compounds 2 E-value 1057.19
Click to view 3D structure	Tyrosine-protein kinase JAK2	O60674	Humans	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.389 Statistical Significance 0.986 Supporting Reference Compounds 1022 E-value 7675.86
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.474 Statistical Significance 0.8908 Supporting Reference Compounds 193 E-value 6934.73
Click to view 3D structure	Histone-lysine N-methyltransferase EHMT1	Q9H9B1	Humans	Predicted (SEA)	Prediction Confidence Score 0.147 Applicability Domain 0.389 Statistical Significance 0.4793 Supporting Reference Compounds 26 E-value 3731.08
Click to view 3D structure	Lysyl oxidase homolog 3	P58215	Humans	Predicted (SEA)	Prediction Confidence Score 0.147 Applicability Domain 0.389 Statistical Significance 0.2691 Supporting Reference Compounds 12 E-value 2094.92
Click to view 3D structure	Lysyl oxidase homolog 4	Q96JB6	Humans	Predicted (SEA)	Prediction Confidence Score 0.145 Applicability Domain 0.389 Statistical Significance 0.0017 Supporting Reference Compounds 5 E-value 13.2344
Click to view 3D structure	Sodium- and chloride-dependent creatine transporter 1	P48029	Humans	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.143 Low confidence Statistical Significance 0.0098 Supporting Reference Compounds 1 E-value 75.9808