2(3H)-Benzothiazolone, hydrazone (CED0050275)

Record Information

Version

1.0

Creation Date

2026-04-04 07:30:54 UTC

Update Date

2026-08-24 07:20:04 UTC

SynCED ID

CED0050275

Secondary Accession Numbers

CHEM072704

Identification

Common Name

2(3H)-Benzothiazolone, hydrazone

Class

Small Molecule

Description

2(3H)-Benzothiazolone, hydrazone is an organic compound with the formula C7H7N3S1 and an average molecular weight of 165.21 g/mol. 2(3H)-Benzothiazolone, hydrazone belongs to the benzothiazoles, a class of organoheterocyclic compounds within the organic compounds. This substance has been found in or released from one recorded source: food, food processing & cookware, specifically in the preparation of malt.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₇H₇N₃S₁

Average Molecular Mass

165.210 g/mol

Monoisotopic Mass

165.036 g/mol

CAS Registry Number

615-21-4

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

NNC1=NC2=CC=CC=C2S1

InChI Identifier

InChI=1S/C7H7N3S/c8-10-7-9-5-3-1-2-4-6(5)11-7/h1-4H,8H2,(H,9,10)

InChI Key

JYSUYJCLUODSLN-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

yellow colour ?

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
228.0 Log mg/kg [130:410]	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	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000547	Preparation Of Malt?Malt preparation involves the germination and drying of cereal grains, primarily barley, to produce malt for brewing and food products.	Food, food processing & cookware	PubChem
CEDs000615	Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.	Personal care & cosmetics	PubChem
CEDs000618	Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.	Personal care & cosmetics	PubChem
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	PubChem
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	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem
CEDs000741	Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.	Paper, pulp & fiber products	PubChem

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	Neuronal calcium sensor 1	P62166	Humans	Predicted (SEA)	Prediction Confidence Score 0.463 Applicability Domain 0.463 Statistical Significance 5.00e-05 Supporting Reference Compounds 1 E-value 0.389246
Click to view 3D structure	Frequenin-2	Q9VWX8	Drosophila melanogaster	Predicted (SEA)	Prediction Confidence Score 0.463 Applicability Domain 0.463 Statistical Significance 5.00e-05 Supporting Reference Compounds 1 E-value 0.389246
Click to view 3D structure	Luciferin 4-monooxygenase	P08659	Photinus pyralis	Predicted (SEA)	Prediction Confidence Score 0.355 Applicability Domain 0.417 Statistical Significance 0.0017 Supporting Reference Compounds 114 E-value 13.0787
Click to view 3D structure	Aurora kinase B	Q96GD4	Humans	Predicted (SEA)	Prediction Confidence Score 0.354 Applicability Domain 0.442 Statistical Significance 0.0409 Supporting Reference Compounds 1017 E-value 318.637
Click to view 3D structure	Aurora kinase A	O14965	Humans	Predicted (SEA)	Prediction Confidence Score 0.35 Applicability Domain 0.442 Statistical Significance 0.0451 Supporting Reference Compounds 996 E-value 351.256
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.35 Applicability Domain 0.442 Statistical Significance 0.0635 Supporting Reference Compounds 1660 E-value 494.42
Click to view 3D structure	Insulin-like growth factor 1 receptor	P08069	Humans	Predicted (SEA)	Prediction Confidence Score 0.334 Applicability Domain 0.442 Statistical Significance 0.0502 Supporting Reference Compounds 785 E-value 390.647
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	Prediction Confidence Score 0.333 Applicability Domain 0.484 Statistical Significance 0.0377 Supporting Reference Compounds 861 E-value 293.18
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.333 Applicability Domain 0.484 Statistical Significance 0.0494 Supporting Reference Compounds 1103 E-value 384.887
Click to view 3D structure	Insulin receptor	P06213	Humans	Predicted (SEA)	Prediction Confidence Score 0.331 Applicability Domain 0.349 Statistical Significance 0.0481 Supporting Reference Compounds 772 E-value 374.533
Click to view 3D structure	Tyrosine-protein kinase ABL1	P00519	Humans	Predicted (SEA)	Prediction Confidence Score 0.327 Applicability Domain 0.442 Statistical Significance 0.0635 Supporting Reference Compounds 927 E-value 494.732
Click to view 3D structure	Tyrosine-protein kinase Lck	P06239	Humans	Predicted (SEA)	Prediction Confidence Score 0.327 Applicability Domain 0.442 Statistical Significance 0.0783 Supporting Reference Compounds 1130 E-value 609.637
Click to view 3D structure	Sentrin-specific protease 7	Q9BQF6	Humans	Predicted (SEA)	Prediction Confidence Score 0.322 Applicability Domain 0.475 Statistical Significance 0.0053 Supporting Reference Compounds 118 E-value 41.1044
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	Prediction Confidence Score 0.318 Applicability Domain 0.34 Statistical Significance 0.0939 Supporting Reference Compounds 1301 E-value 731.238
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	Prediction Confidence Score 0.314 Applicability Domain 0.442 Statistical Significance 0.0724 Supporting Reference Compounds 906 E-value 563.862
Click to view 3D structure	Casein kinase I isoform delta	P48730	Humans	Predicted (SEA)	Prediction Confidence Score 0.312 Applicability Domain 0.463 Statistical Significance 0.0578 Supporting Reference Compounds 637 E-value 449.813
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	Prediction Confidence Score 0.312 Applicability Domain 0.442 Statistical Significance 0.0998 Supporting Reference Compounds 1157 E-value 777.013
Click to view 3D structure	D(1A) dopamine receptor	P21728	Humans	Predicted (SEA)	Prediction Confidence Score 0.307 Applicability Domain 0.484 Statistical Significance 0.0314 Supporting Reference Compounds 425 E-value 244.447
Click to view 3D structure	Mitochondrial import inner membrane translocase subunit TIM23	P32897	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.307 Applicability Domain 0.396 Statistical Significance 0.0035 Supporting Reference Compounds 75 E-value 27.3251
Click to view 3D structure	Serine/threonine-protein kinase pim-1	P11309	Humans	Predicted (SEA)	Prediction Confidence Score 0.305 Applicability Domain 0.442 Statistical Significance 0.0937 Supporting Reference Compounds 967 E-value 729.681
Click to view 3D structure	Tyrosine-protein kinase JAK2	O60674	Humans	Predicted (SEA)	Prediction Confidence Score 0.305 Applicability Domain 0.442 Statistical Significance 0.1105 Supporting Reference Compounds 1022 E-value 860.39
Click to view 3D structure	Acetylcholinesterase	O42275	Electrophorus electricus	Predicted (SEA)	Prediction Confidence Score 0.303 Applicability Domain 0.352 Statistical Significance 0.0228 Supporting Reference Compounds 206 E-value 177.341
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.303 Applicability Domain 0.352 Statistical Significance 0.1574 Supporting Reference Compounds 1538 E-value 1225.04
Click to view 3D structure	Sentrin-specific protease 8	Q96LD8	Humans	Predicted (SEA)	Prediction Confidence Score 0.303 Applicability Domain 0.475 Statistical Significance 0.0019 Supporting Reference Compounds 104 E-value 14.7135
Click to view 3D structure	Kappa-type opioid receptor	P41145	Humans	Predicted (SEA)	Prediction Confidence Score 0.303 Applicability Domain 0.484 Statistical Significance 0.0624 Supporting Reference Compounds 532 E-value 485.623