7-chloroquinazoline-4(1H)-thione
Basic information
- CAS
6967-32-4- Standard SMILES
S=c1nc[nH]c2cc(Cl)ccc12- InChIKey
YOVNGYWYUZMMPG-UHFFFAOYSA-N- Molecular formula
- C8H5ClN2S
- Average molar mass
- 196.66 g/mol
- Monoisotopic mass
- 195.986197
Names & identifiers
- Preferred name
- 7-chloroquinazoline-4(1H)-thione
- IUPAC
- 7-chloro-1H-quinazoline-4-thione
Names & synonyms
6967-32-47-Chloroquinazoline-4(3H)-thione7-chloro-3,4-dihydroquinazoline-4-thione7-chloroquinazoline-4(1H)-thioneNSC68298SCHEMBL10549177DTXSID50398601NSC-68298AKOS026736924
Database identifiers
- CAS
6967-32-4- PubChem CID
- 4023116
- DTXSID
DTXSID50398601
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 229
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Compound notes
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