4H-1-Benzothiopyran-4-one, 2,3-dihydro-6-methoxy-3-((4-methoxyphenyl)methylene)-, (Z)-
Basic information
- CAS
130689-04-2- Standard SMILES
COc1ccc(/C=C2\CSc3ccc(OC)cc3C2=O)cc1- InChIKey
WHUNTJOARWYMCF-UKTHLTGXSA-N- Molecular formula
- C18H16O3S
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.08201554
Names & identifiers
- Preferred name
- 4H-1-Benzothiopyran-4-one, 2,3-dihydro-6-methoxy-3-((4-methoxyphenyl)methylene)-, (Z)-
- IUPAC
- (3Z)-6-methoxy-3-[(4-methoxyphenyl)methylidene]thiochromen-4-one
Names & synonyms
4H-1-Benzothiopyran-4-one, 2,3-dihydro-6-methoxy-3-((4-methoxyphenyl)methylene)-, (Z)-130689-04-2RefChem:1071883BRN 3622313(Z)-2,3-Dihydro-6-methoxy-3-((4-methoxyphenyl)methylene)-4H-1-benzothiopyran-4-one(3Z)-6-methoxy-3-[(4-methoxyphenyl)methylene]thiochroman-4-one4H-1-benzothiopyran-4-one, 2,3-dihydro-6-methoxy-3-[(4-methoxyphenyl)methylene]-, (3Z)-
Database identifiers
- CAS
130689-04-2- PubChem CID
- 6449201
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 426
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Compound notes
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