Basic information
- CAS
16368-47-1- Standard SMILES
Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2s1- InChIKey
CGBGMLVHVZIGGJ-UHFFFAOYSA-N- Molecular formula
- C9H6F3NO2S2
- Average molar mass
- 281.3 g/mol
- Monoisotopic mass
- 280.97920527
Names & identifiers
- Preferred name
- 2-Methyl-6-[(trifluoromethyl)sulfonyl]benzothiazole
- IUPAC
- 2-methyl-6-(trifluoromethylsulfonyl)-1,3-benzothiazole
Names & synonyms
2-Methyl-6-[(trifluoromethyl)sulfonyl]benzothiazole16368-47-1DTXSID2012232712-Methyl-6-(trifluoromethanesulfonyl)-1,3-benzothiazole
Database identifiers
- CAS
16368-47-1- PubChem CID
- 744604
- DTXSID
DTXSID201223271
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 83.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 390
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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