3-chloro-4-(N-phenylanilino)-5H-thiochromeno[4,3-b]pyran-2-one
Basic information
- CAS
67046-38-2- Standard SMILES
O=c1oc2c(c(N(c3ccccc3)c3ccccc3)c1Cl)CSc1ccccc1-2- InChIKey
KXZOOEQOIGIMBC-UHFFFAOYSA-N- Molecular formula
- C24H16ClNO2S
- Average molar mass
- 417.9 g/mol
- Monoisotopic mass
- 417.0590276
Names & identifiers
- Preferred name
- 3-chloro-4-(N-phenylanilino)-5H-thiochromeno[4,3-b]pyran-2-one
- IUPAC
- 3-chloro-4-(N-phenylanilino)-5H-thiochromeno[4,3-b]pyran-2-one
Names & synonyms
67046-38-2NSC3053543-chloro-4-(N-phenylanilino)-5H-thiochromeno[4,3-b]pyran-2-oneDTXSID40316637NSC-3053543-Chloro-4-(diphenylamino)-2H,5H-[1]benzothiopyrano[4,3-b]pyran-2-one
Database identifiers
- CAS
67046-38-2- PubChem CID
- 328031
- DTXSID
DTXSID40316637
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 688
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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