Basic information
- CAS
3139-42-2- Standard SMILES
O=C1/C(=C/c2ccccc2)Sc2ccccc21- InChIKey
BWBFNVYHZVSITL-UVTDQMKNSA-N- Molecular formula
- C15H10OS
- Average molar mass
- 238.31 g/mol
- Monoisotopic mass
- 238.04523611
Overview
See also: Benzo[b]thiophen-3(2H)-one, 2-(phenylmethylene)- (annotation moved to).
Names & identifiers
- Preferred name
- (2Z)-2-benzylidene-1-benzothiophen-3(2H)-one
- IUPAC
- (2Z)-2-benzylidene-1-benzothiophen-3-one
Names & synonyms
3139-42-2(2Z)-2-benzylidene-1-benzothiophen-3(2H)-oneSCHEMBL3134637HMS1610O18STK869445AKOS000400346(Z)-2-benzylidenebenzo[b]thiophen-3(2H)-one
Database identifiers
- CAS
3139-42-2- PubChem CID
- 736740
- Nikkaji
- J1.097.495J、J1.175.670K
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 328
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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