4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-((4-methylyphenyl)methylene)-, (Z)-
Basic information
- CAS
101001-08-5- Standard SMILES
Cc1ccc(/C=C2\CSc3ccccc3C2=O)cc1- InChIKey
UWZFENWDDPLXQX-GXDHUFHOSA-N- Molecular formula
- C17H14OS
- Average molar mass
- 266.4 g/mol
- Monoisotopic mass
- 266.07653624
Names & identifiers
- Preferred name
- 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-((4-methylyphenyl)methylene)-, (Z)-
- IUPAC
- (3Z)-3-[(4-methylphenyl)methylidene]thiochromen-4-one
Names & synonyms
101001-08-54H-1-Benzothiopyran-4-one, 2,3-dihydro-3-((4-methylyphenyl)methylene)-, (Z)-RefChem:1071873(Z)-2,3-Dihydro-3-((4-methylyphenyl)methylene)-4H-1-benzothiopyran-4-one(3Z)-3-[(4-methylphenyl)methylidene]thiochromen-4-oneCCG-248099(3Z)-3-(p-tolylmethylene)thiochroman-4-one4H-1-benzothiopyran-4-one, 2,3-dihydro-3-[(4-methylphenyl)methylene]-, (3Z)-
Database identifiers
- CAS
101001-08-5- PubChem CID
- 6364802
- Nikkaji
- J731.086B
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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