Basic information
- CAS
7251-56-1- Standard SMILES
Cc1ccc(SCc2nc3ccccc3c(C)[n+]2[O-])cc1- InChIKey
WIPRPPXYIWITAW-UHFFFAOYSA-N- Molecular formula
- C17H16N2OS
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.09833431
Names & identifiers
- Preferred name
- Quinazoline, 4-methyl-2-(((4-methylphenyl)thio)methyl)-, 3-oxide
- IUPAC
- 4-methyl-2-[(4-methylphenyl)sulfanylmethyl]-3-oxidoquinazolin-3-ium
- English name
- 4-methyl-2-[(4-methylphenyl)sulfanylmethyl]-3-oxido-quinazoline
- Molecular formula
- C17H16N2OS
- Molecular weight
- 0
Names & synonyms
7251-56-1DTXSID90222830NSC-64056Quinazoline, 4-methyl-2-(((4-methylphenyl)thio)methyl)-, 3-oxideNSC 64056RefChem:178172UNII-W45C4SCE47W45C4SCE47DTXCID20145321QUINAZOLINE, 4-METHYL-2-((P-TOLYLTHIO)METHYL)-, 3-OXIDENSC640564-Methyl-2-{[(4-methylphenyl)sulfanyl]methyl}-3-oxo-3lambda~5~-quinazoline
Show more names
4-methyl-2-[(4-methylphenyl)sulfanylmethyl]-3-oxido-quinazoline
Database identifiers
- CAS
7251-56-1- PubChem CID
- 461817
- DTXSID
DTXSID90222830
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- FDA UNII
- 45 C4SCE47 · W45C4SCE47
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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