2-Mercapto-3-o-tolyl-3H-quinazolin-4-one
Basic information
- CAS
5936-35-6- Standard SMILES
Cc1ccccc1-n1c(=S)[nH]c2ccccc2c1=O- InChIKey
ITSACSSSWMTFGE-UHFFFAOYSA-N- Molecular formula
- C15H12N2OS
- Average molar mass
- 268.3 g/mol
- Monoisotopic mass
- 268.06703418
Names & identifiers
- Preferred name
- 2-Mercapto-3-o-tolyl-3H-quinazolin-4-one
- IUPAC
- 3-(2-methylphenyl)-2-sulfanylidene-1H-quinazolin-4-one
Names & synonyms
37641-48-82-Mercapto-3-o-tolyl-3H-quinazolin-4-one3-(2-methylphenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one3-(2-methylphenyl)-2-sulfanylidene-1H-quinazolin-4-one2-Mercapto-3-(o-tolyl)quinazolin-4(3H)-one3-(2-methylphenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one5936-35-63-(2-methylphenyl)-2-sulfanylquinazolin-4(3H)-one2-thioxo-3-(o-tolyl)-2,3-dihydroquinazolin-4(1H)-one3-(2-methylphenyl)-2-sulfanyl-3-hydroquinazolin-4-oneMFCD00806598CBMicro_017084
Show more names
CBMicro_038218Oprea1_389896Oprea1_748705SCHEMBL5028779SCHEMBL6282188DTXSID60974773MBA64148CCG-12383
Database identifiers
- CAS
5936-35-6- PubChem CID
- 681972
- DTXSID
DTXSID60974773- EC Number
- 132-133-6
- Nikkaji
- J748.909I
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 384
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Compound notes
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