Methyl 2-phenylthio-6-quinolyl ether
Basic information
- CAS
61931-86-0- Standard SMILES
COc1ccc2nc(Sc3ccccc3)ccc2c1- InChIKey
APNJFVPUIDYMQH-UHFFFAOYSA-N- Molecular formula
- C16H13NOS
- Average molar mass
- 267.3 g/mol
- Monoisotopic mass
- 267.07178521
Names & identifiers
- Preferred name
- Methyl 2-phenylthio-6-quinolyl ether
- IUPAC
- 6-methoxy-2-phenylsulfanylquinoline
- English name
- methyl 2-phenylthio-6-quinolyl ether
- Molecular formula
- C16H13NOS
- Molecular weight
- 267.35
Names & synonyms
Methyl 2-phenylthio-6-quinolyl ether61931-86-06-Methoxy-2-(phenylthio)quinolineNSC56812EINECS 263-342-1Quinoline, 6-methoxy-2-(phenylthio)-6-METHOXY-2-(PHENYLSULFANYL)QUINOLINENCIOpen2_002323SCHEMBL8565253DTXSID40210969APNJFVPUIDYMQH-UHFFFAOYSA-NNSC 56812
Show more names
NSC-56812DB-319885NS00034855
Database identifiers
- CAS
61931-86-0- PubChem CID
- 96158
- DTXSID
DTXSID40210969- EC Number
- 263-342-1
- Nikkaji
- J306.950H
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 47.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 280
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Compound notes
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