4-Methyl-2-mercaptobenzothiazole

Modify Date: 2026-07-22 17:10:38

4-Methyl-2-mercaptobenzothiazole Structure
4-Methyl-2-mercaptobenzothiazole structure
 Common Name 4-Methyl-2-mercaptobenzothiazole
CAS Number 2268-77-1 Molecular Weight 181.27800
Density 1.39g/cm3 Boiling Point 308.7ºC at 760mmHg
Molecular Formula C8H7NS2 Melting Point N/A
MSDS N/A Flash Point 140.5ºC

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name 4-methyl-3H-1,3-benzothiazole-2-thione
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.39g/cm3
Boiling Point 308.7ºC at 760mmHg
Molecular Formula C8H7NS2
Molecular Weight 181.27800
Flash Point 140.5ºC
Exact Mass 181.00200
PSA 79.93000
LogP 2.89340
Vapour Pressure 0.000668mmHg at 25°C
Index of Refraction 1.743
InChIKey JACGKHGTBZGVMW-UHFFFAOYSA-N
SMILES Cc1cccc2sc(=S)[nH]c12

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Hazard Codes Xi
HS Code 2934200090

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

N,N-di-o-tolylthiourea structure

N,N-di-o-tolylt...

CAS#:22695-18-7

~%

4-Methyl-2-mercaptobenzothiazole Structure

4-Methyl-2-merc...

CAS#:2268-77-1

Learn More
Literature: Journal of the American Chemical Society, , vol. 45, p. 2395 Gazzetta Chimica Italiana, , vol. 52 I, p. 31
Carbon disulphide structure

Carbon disulphide

CAS#:75-15-0

o-Toluidine structure

o-Toluidine

CAS#:95-53-4

~%

4-Methyl-2-mercaptobenzothiazole Structure

4-Methyl-2-merc...

CAS#:2268-77-1

Learn More
Literature: Journal of the American Chemical Society, , vol. 45, p. 2395
Formaldehyde structure

Formaldehyde

CAS#:50-00-0

o-Toluidine structure

o-Toluidine

CAS#:95-53-4

~%

4-Methyl-2-mercaptobenzothiazole Structure

4-Methyl-2-merc...

CAS#:2268-77-1

Learn More
Literature: US1972963 , ;

 Precursor & DownStream

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor  4

DownStream  3

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2934200090
Summary 2934200090. other compounds containing in the structure a benzothiazole ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 4-Methyl-2-mercaptobenzothiazoleBioassay

View more

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100
Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1101
Name: Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas...
Source: Broad Institute
Target: N/A
External Id: 2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
Name: qHTS for Inhibitors of AMA1-RON; Towards Development of Antimalarial Drug Lead: Prima...
Source: NCGC
Target: apical membrane antigen 1, AMA1 [Plasmodium falciparum 3D7]
External Id: AMA1100
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: abhydrolase domain-containing protein 4 isoform 1 [Mus musculus]
External Id: ABHD4_INH_FP_1536_1X%INH PRUN
Name: Identification of agents that induce E-selectin on human endothelial cells Measured i...
Source: Broad Institute
Target: E-Selectin
External Id: 2152-01_Activator_SinglePoint_HTS_Activity
Total 68, Current Page 1 of 7
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 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

4-Methylbenzo[d]thiazole-2(3H)-thione
4-METHYL-2-MERCAPTOBENZOTHIAZOLE
4-Methyl-3H-benzothiazol-2-thion
4-methyl-3H-benzothiazole-2-thione
4-Methyl-2-Mercaptobenzothiazole

 4-Methyl-2-mercaptobenzothiazole | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the polar surface area (PSA) of 4-methyl-3H-1,3-benzothiazole-2-thione?
A: Polar surface area (PSA) of 4-methyl-3H-1,3-benzothiazole-2-thione is 79.93000.
Q: What is the molecular formula of 4-methyl-3H-1,3-benzothiazole-2-thione?
A: Molecular formula of 4-methyl-3H-1,3-benzothiazole-2-thione is C8H7NS2.
Q: What is the InChIKey of 4-methyl-3H-1,3-benzothiazole-2-thione?
A: InChIKey of 4-methyl-3H-1,3-benzothiazole-2-thione is JACGKHGTBZGVMW-UHFFFAOYSA-N.
Q: What is the CAS number of 4-methyl-3H-1,3-benzothiazole-2-thione?
A: CAS number of 4-methyl-3H-1,3-benzothiazole-2-thione is 2268-77-1.
Q: What is the SMILES notation of 4-methyl-3H-1,3-benzothiazole-2-thione?
A: SMILES notation of 4-methyl-3H-1,3-benzothiazole-2-thione is Cc1cccc2sc(=S)[nH]c12.
Q: What are the upstream materials of 4-methyl-3H-1,3-benzothiazole-2-thione?
A: Related upstream materials(CAS) of 4-methyl-3H-1,3-benzothiazole-2-thione: 22695-18-7;75-15-0;95-53-4;50-00-0.
Q: What is the boiling point of 4-methyl-3H-1,3-benzothiazole-2-thione?
A: Boiling point of 4-methyl-3H-1,3-benzothiazole-2-thione is 308.7ºC at 760mmHg.
Q: What is the English name of 4-methyl-3H-1,3-benzothiazole-2-thione?
A: The English name of 4-methyl-3H-1,3-benzothiazole-2-thione is 4-methyl-3H-1,3-benzothiazole-2-thione.
Q: What is the molecular weight of 4-methyl-3H-1,3-benzothiazole-2-thione?
A: Molecular weight of 4-methyl-3H-1,3-benzothiazole-2-thione is 181.27800.
Q: What are the downstream products of 4-methyl-3H-1,3-benzothiazole-2-thione?
A: Related downstream products(CAS) of 4-methyl-3H-1,3-benzothiazole-2-thione: 1477-42-5;80745-82-0;52904-73-1.

 4-Methyl-2-mercaptobenzothiazolefactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
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