7-chloro-2-mercapto-3-pentylquinazolin-4(3H)-one
Basic information
- CAS
757192-78-2- Standard SMILES
CCCCCn1c(=S)[nH]c2cc(Cl)ccc2c1=O- InChIKey
BUCJWRUYMPCNNO-UHFFFAOYSA-N- Molecular formula
- C13H15ClN2OS
- Average molar mass
- 282.79 g/mol
- Monoisotopic mass
- 282.059362
Names & identifiers
- Preferred name
- 7-chloro-2-mercapto-3-pentylquinazolin-4(3H)-one
- IUPAC
- 7-chloro-3-pentyl-2-sulfanylidene-1H-quinazolin-4-one
Names & synonyms
757192-78-27-chloro-2-mercapto-3-pentylquinazolin-4(3H)-one7-chloro-3-pentyl-2-sulfanyl-3,4-dihydroquinazolin-4-oneDTXSID101192542AKOS005199353CS-0349178EN300-101127-chloro-3-pentyl-2-thioxo-1H-quinazolin-4-oneZ569951767-Chloro-2,3-dihydro-3-pentyl-2-thioxo-4(1H)-quinazolinone7-Chloro-3-pentyl-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Database identifiers
- CAS
757192-78-2- PubChem CID
- 2125339
- DTXSID
DTXSID101192542
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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