4-Methyl-2-mercaptobenzothiazole

Modify Date: 2025-08-23 16:48:01

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

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

 Chemical & Physical Properties

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

Hazard Codes Xi
HS Code 2934200090

 Synthetic Route

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4-Methyl-2-mercaptobenzothiazole Structure

4-Methyl-2-merc...

CAS#:2268-77-1

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

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4-Methyl-2-mercaptobenzothiazole Structure

4-Methyl-2-merc...

CAS#:2268-77-1

Literature: Journal of the American Chemical Society, , vol. 45, p. 2395

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4-Methyl-2-mercaptobenzothiazole Structure

4-Methyl-2-merc...

CAS#:2268-77-1

Literature: US1972963 , ;

 Customs

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

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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
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 Synonyms

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
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