Quinazoline, 4-methyl-2-(((3-methylbutyl)thio)methyl)-, 3-oxide
Basic information
- CAS
6327-38-4- Standard SMILES
Cc1c2ccccc2nc(CSCCC(C)C)[n+]1[O-]- InChIKey
HOFGXXTVLSOQFC-UHFFFAOYSA-N- Molecular formula
- C15H20N2OS
- Average molar mass
- 276.4 g/mol
- Monoisotopic mass
- 276.12963444
Names & identifiers
- Preferred name
- Quinazoline, 4-methyl-2-(((3-methylbutyl)thio)methyl)-, 3-oxide
- IUPAC
- 4-methyl-2-(3-methylbutylsulfanylmethyl)-3-oxidoquinazolin-3-ium
- English name
- 4-methyl-2-(3-methylbutylsulfanylmethyl)-3-oxido-quinazoline
- Molecular formula
- C15H20N2OS
- Molecular weight
- 276.4
Names & synonyms
6327-38-4DTXSID30212659Quinazoline, 4-methyl-2-(((3-methylbutyl)thio)methyl)-, 3-oxideNSC-50850NSC 50850RefChem:178171UNII-ZRD4I377EKZRD4I377EKDTXCID10135150NSC508504-METHYL-2-(3-METHYLBUTYLSULFANYLMETHYL)-3-OXIDO-QUINAZOLINE4-Methyl-2-{[(3-methylbutyl)sulfanyl]methyl}-3-oxo-3lambda~5~-quinazoline
Show more names
Quinazoline, 4-methyl-2-[[(3-methylbutyl)thio]methyl]-, 3-oxide
Database identifiers
- CAS
6327-38-4- PubChem CID
- 461772
- DTXSID
DTXSID30212659
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 275
Physicochemical properties
- FDA UNII
- 4 I377EK · ZRD4I377EK
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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