4-Chloro-6-(methylthio)quinazoline
Basic information
- CAS
155960-93-3- Standard SMILES
CSc1ccc2ncnc(Cl)c2c1- InChIKey
NWMNIOBPSAXMMY-UHFFFAOYSA-N- Molecular formula
- C9H7ClN2S
- Average molar mass
- 210.68 g/mol
- Monoisotopic mass
- 210.0018471
Names & identifiers
- Preferred name
- 4-Chloro-6-(methylthio)quinazoline
- IUPAC
- 4-chloro-6-methylsulfanylquinazoline
Names & synonyms
4-chloro-6-(methylsulfanyl)quinazoline155960-93-34-chloro-6-(methylthio)quinazoline4-chloro-6-methylsulfanylquinazolineQuinazoline, 4-chloro-6-(methylthio)-SCHEMBL40061234-chloro-6-methylthioquinazolineNWMNIOBPSAXMMY-UHFFFAOYSA-NDTXSID401295799FGA96093DB-195622EN300-212968
Show more names
Z1278924600
Database identifiers
- CAS
155960-93-3- PubChem CID
- 10375845
- DTXSID
DTXSID401295799
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 179
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Related reactions
4 records
Compound notes
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