Basic information
- Standard SMILES
O=S(=O)(CCC=C(F)F)c1nc2ccccc2s1- InChIKey
GRIJAQRSMLFBQS-UHFFFAOYSA-N- Molecular formula
- C11H9F2NO2S2
- Average molar mass
- 289.3 g/mol
Names & identifiers
- Preferred name
- 2-(4,4-Difluorobut-3-enylsulfonyl)benzthiazole
- IUPAC
- 2-(4,4-difluorobut-3-enylsulfonyl)-1,3-benzothiazole
Names & synonyms
SCHEMBL70396132-(4,4-difluorobut-3-enylsulfonyl )benzthiazole2-(4,4-Difluorobut-3-enylsulfonyl)benzthiazole
Database identifiers
- PubChem CID
- 21712906
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 83.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 415
Related reactions
2 records
Compound notes
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