6,7-dichloro-1H-quinazoline-4-thione
Basic information
- CAS
6954-86-5- Standard SMILES
S=c1nc[nH]c2cc(Cl)c(Cl)cc12- InChIKey
ZNNUTBAMQVVTND-UHFFFAOYSA-N- Molecular formula
- C8H4Cl2N2S
- Average molar mass
- 231.1 g/mol
- Monoisotopic mass
- 229.9472247
Names & identifiers
- Preferred name
- 6,7-dichloro-1H-quinazoline-4-thione
- IUPAC
- 6,7-dichloro-1H-quinazoline-4-thione
Names & synonyms
NSC677696954-86-5NSC 67769DTXSID00398277NSC-677696,7-Dichloroquinazoline-4(1H)-thione
Database identifiers
- CAS
6954-86-5- PubChem CID
- 3965890
- DTXSID
DTXSID00398277
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 257
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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