Basic information
- CAS
25991-39-3- Standard SMILES
CSc1nc2cc(S(=O)(=O)C(F)F)ccc2s1- InChIKey
NCLPBQXAIOVFPV-UHFFFAOYSA-N- Molecular formula
- C9H7F2NO2S3
- Average molar mass
- 295.4 g/mol
- Monoisotopic mass
- 294.96069831
Names & identifiers
- Preferred name
- 5-(Difluoromethylsulfonyl)-2-(methylthio)benzothiazole
- IUPAC
- 5-(difluoromethylsulfonyl)-2-methylsulfanyl-1,3-benzothiazole
- English name
- Benzothiazole,5-[(difluoromethyl)sulfonyl]-2-(methylthio)-
- Molecular formula
- C9H7F2NO2S3
- Molecular weight
- 295.3491864
Names & synonyms
5-(DIFLUOROMETHYLSULFONYL)-2-(METHYLTHIO)BENZOTHIAZOLERefChem:531180653-336-025991-39-35-(difluoromethylsulfonyl)-2-methylsulfanyl-1,3-benzothiazole5-((Difluoromethyl)sulfonyl)-2-(methylthio)benzo[d]thiazoleNSC124196SCHEMBL305176DTXSID90298555NCLPBQXAIOVFPV-UHFFFAOYSA-NAKOS024334135NSC-124196
Show more names
Benzothiazole,5-[(difluoromethyl)sulfonyl]-2-(methylthio)-
ST505483855-(Difluoromethanesulfonyl)-2-(methylsulfanyl)-1,3-benzothiazole
Database identifiers
- CAS
25991-39-3- PubChem CID
- 276409
- DTXSID
DTXSID90298555- EC Number
- 653-336-0
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 371
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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