Basic information
- Standard SMILES
FC(F)=CCCSc1nc2ccccc2s1- InChIKey
ITPWFNSBZHNKCG-UHFFFAOYSA-N- Molecular formula
- C11H9F2NS2
- Average molar mass
- 257.3 g/mol
Names & identifiers
- Preferred name
- 2-(4,4-Difluorobut-3-enylthio)benzthiazole
- IUPAC
- 2-(4,4-difluorobut-3-enylsulfanyl)-1,3-benzothiazole
Names & synonyms
2-(4,4-difluorobut-3-enylthio)benzthiazoleSCHEMBL70437452-(4,4-difluorobut-3-enyl)thiobenzthiazole
Database identifiers
- PubChem CID
- 21712909
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 256
Related reactions
4 records
Compound notes
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