Basic information
- Standard SMILES
CC(CCCCOC(=S)c1cc2ccccc2s1)=C(F)F- InChIKey
LOXDMQRDJCSGGK-UHFFFAOYSA-N- Molecular formula
- C16H16F2OS2
- Average molar mass
- 326.4 g/mol
Names & identifiers
- Preferred name
- O-(6,6-difluoro-5-methyl-5-hexenyl) benzo[b]thiophene-2-thiocarboxylate
- IUPAC
- O-(6,6-difluoro-5-methylhex-5-enyl) 1-benzothiophene-2-carbothioate
Names & synonyms
O-(6,6-difluoro-5-methyl-5-hexenyl) benzo[b]thiophene-2-thiocarboxylateSCHEMBL4762214
Database identifiers
- PubChem CID
- 86760554
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 394
Related reactions
2 records
Compound notes
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