4-(4-Tert-butylphenyl)sulfanylquinazoline
Basic information
- CAS
6956-63-4- Standard SMILES
CC(C)(C)c1ccc(Sc2ncnc3ccccc23)cc1- InChIKey
APMRIGRDYNDPRM-UHFFFAOYSA-N- Molecular formula
- C18H18N2S
- Average molar mass
- 294.4 g/mol
- Monoisotopic mass
- 294.11906976
Names & identifiers
- Preferred name
- 4-(4-Tert-butylphenyl)sulfanylquinazoline
- IUPAC
- 4-(4-tert-butylphenyl)sulfanylquinazoline
Names & synonyms
6956-63-44-(4-tert-butylphenyl)sulfanylquinazoline4-[(4-tert-butylphenyl)sulfanyl]quinazolineNSC65062DTXSID60289879NSC-65062
Database identifiers
- CAS
6956-63-4- PubChem CID
- 248342
- DTXSID
DTXSID60289879
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 331
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Compound notes
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