4(3H)-Quinazolinone, 2-(S-carbamoylthiomethyl)-3-(o-tolyl)-, hydrochloride
Basic information
- CAS
61555-10-0- Standard SMILES
Cc1ccccc1-n1c(CSC(N)=O)nc2ccccc2c1=O.Cl- InChIKey
LBKHXWVKSDAALR-UHFFFAOYSA-N- Molecular formula
- C17H16ClN3O2S
- Average molar mass
- 361.8 g/mol
- Monoisotopic mass
- 361.0651756
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 2-(S-carbamoylthiomethyl)-3-(o-tolyl)-, hydrochloride
- IUPAC
- S-[[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]methyl] carbamothioate;hydrochloride
Names & synonyms
4(3H)-Quinazolinone, 2-(S-carbamoylthiomethyl)-3-(o-tolyl)-, hydrochloride61555-10-0DTXSID302105592-(S-Carbamoylthiomethyl)-3-(o-tolyl)-4(3H)-quinazolone hydrochloride4(3H)-Quinazolinone, 2-(mercaptomethyl)-3-o-tolyl-, monohydrochlorideRefChem:283841DTXCID10133050CHEMBL3251258S-{[3-(2-Methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]methyl} carbamothioate--hydrogen chloride (1/1)
Database identifiers
- CAS
61555-10-0- PubChem CID
- 63797
- DTXSID
DTXSID30210559- ChEMBL
CHEMBL3251258
Properties
Computed structural properties
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 508
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Compound notes
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