Basic information
- CAS
102830-74-0- Standard SMILES
CSc1cnc2c(c1)CCC(c1ccc(Cl)c(Cl)c1)O2- InChIKey
WMHPSBWSQPFYCF-UHFFFAOYSA-N- Molecular formula
- C15H13Cl2NOS
- Average molar mass
- 326.2 g/mol
- Monoisotopic mass
- 325.0094904
Names & identifiers
- Preferred name
- 2-(3,4-Dichlorophenyl)-3,4-dihydro-6-(methylthio)-2h-pyrano[2,3-b]pyridine
- IUPAC
- 2-(3,4-dichlorophenyl)-6-methylsulfanyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
Names & synonyms
102830-74-02-(3,4-dichlorophenyl)-3,4-dihydro-6-(methylthio)-2h-pyrano[2,3-b]pyridine2H-Pyrano(2,3-b)pyridine, 2-(3,4-dichlorophenyl)-3,4-dihydro-6-(methylthio)-2H-Pyrano[2,3-b]pyridine, 2-(3,4-dichlorophenyl)-3,4-dihydro-6-(methylthio)-2-(3,4-dichlorophenyl)-6-methylsulfanyl-3,4-dihydro-2H-pyrano[2,3-b]pyridineCHEMBL288954SCHEMBL9672542DTXSID80908075WMHPSBWSQPFYCF-UHFFFAOYSA-N2-(3,4-Dichlorophenyl)-6-(methylsulfanyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine
Database identifiers
- CAS
102830-74-0- PubChem CID
- 514906
- DTXSID
DTXSID80908075- ChEMBL
CHEMBL288954
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 47.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 333
Related reactions
4 records
Compound notes
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