2-methyl-5-(trifluoromethyl)benzothiazole

Modify Date: 2025-08-27 22:26:51

2-methyl-5-(trifluoromethyl)benzothiazole Structure
2-methyl-5-(trifluoromethyl)benzothiazole structure
Common Name 2-methyl-5-(trifluoromethyl)benzothiazole
CAS Number 398-99-2 Molecular Weight 217.21100
Density 1.392 g/cm3 Boiling Point 249.4ºC at 760 mmHg
Molecular Formula C9H6F3NS Melting Point 63ºC
MSDS N/A Flash Point 104.7ºC

 Names

Name 2-methyl-5-(trifluoromethyl)-1,3-benzothiazole
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.392 g/cm3
Boiling Point 249.4ºC at 760 mmHg
Melting Point 63ºC
Molecular Formula C9H6F3NS
Molecular Weight 217.21100
Flash Point 104.7ºC
Exact Mass 217.01700
PSA 41.13000
LogP 3.62350
Index of Refraction 1.608
InChIKey XXIOZBPOLWETSU-UHFFFAOYSA-N
SMILES Cc1nc2cc(C(F)(F)F)ccc2s1

 Safety Information

Hazard Codes Xi: Irritant;
HS Code 2934200090

 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%

 Bioassay

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Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: ULK1_INH_LUMI_1536_1X%INH PRUN
Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
Name: AlphaScreen-based biochemical high throughput primary assay to identify activators of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: FBW7_ACT_ALPHA_1536_1X%ACT PRUN
Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
External Id: MITF_INH_Alpha_1536_1X%INH PRUN
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 Synonyms

F0293-0090
2-Methyl-5-trifluormethyl-benzothiazol
2-Methyl-5-trifluoromethylbenzothiazole
2-Methyl-5-trifluormethyl-benzthiazol
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