Basic information
- CAS
53844-20-5- Standard SMILES
COc1ccc2c(c1)CSC(c1ccccc1)=C2- InChIKey
RMWJNRHJBAATNI-UHFFFAOYSA-N- Molecular formula
- C16H14OS
- Average molar mass
- 254.3 g/mol
- Monoisotopic mass
- 254.07653624
Names & identifiers
- Preferred name
- 7-methoxy-3-phenyl-1H-isothiochromene
- IUPAC
- 7-methoxy-3-phenyl-1H-isothiochromene
Names & synonyms
7-methoxy-3-phenyl-1H-isothiochromene53844-20-5NSC208876DTXSID50308760NSC-2088767-Methoxy-3-phenyl-1H-2-benzothiopyranDS-006017
Database identifiers
- CAS
53844-20-5- PubChem CID
- 308192
- DTXSID
DTXSID50308760
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 34.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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