Basic information
- CAS
67046-40-6- Standard SMILES
CN(c1ccccc1)c1c2c(oc(=O)c1Cl)CCSC2- InChIKey
YPQGQGFFIRMMFV-UHFFFAOYSA-N- Molecular formula
- C15H14ClNO2S
- Average molar mass
- 307.8 g/mol
- Monoisotopic mass
- 307.0433776
Names & identifiers
- Preferred name
- 3-chloro-4-(N-methylanilino)-7,8-dihydro-5H-thiopyrano[4,3-b]pyran-2-one
- IUPAC
- 3-chloro-4-(N-methylanilino)-7,8-dihydro-5H-thiopyrano[4,3-b]pyran-2-one
Names & synonyms
67046-40-6NSC3053573-chloro-4-(N-methylanilino)-7,8-dihydro-5H-thiopyrano[4,3-b]pyran-2-oneDTXSID70316640NSC-3053573-Chloro-4-[methyl(phenyl)amino]-7,8-dihydro-2H,5H-thiopyrano[4,3-b]pyran-2-one
Database identifiers
- CAS
67046-40-6- PubChem CID
- 328034
- DTXSID
DTXSID70316640
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 480
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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