6-Chloro-4-phenyl-3,4-dihydroquinazoline-2(1H)-thione
Basic information
- CAS
77485-02-0- Standard SMILES
S=C1Nc2ccc(Cl)cc2C(c2ccccc2)N1- InChIKey
AXASONGHEVUXIT-UHFFFAOYSA-N- Molecular formula
- C14H11ClN2S
- Average molar mass
- 274.8 g/mol
- Monoisotopic mass
- 274.0331472
Names & identifiers
- Preferred name
- 6-Chloro-4-phenyl-3,4-dihydroquinazoline-2(1H)-thione
- IUPAC
- 6-chloro-4-phenyl-3,4-dihydro-1H-quinazoline-2-thione
Names & synonyms
77485-02-0SCHEMBL52050166-Chloro-4-phenyl-3,4-dihydroquinazoline-2(1H)-thioneDTXSID90546987
Database identifiers
- CAS
77485-02-0- PubChem CID
- 13697337
- DTXSID
DTXSID90546987- Nikkaji
- J357.723F
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 317
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Compound notes
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