1-Benzyl-3-tert-butyl-4-(2-methylphenyl)-3-(propan-2-yl)azetidine-2-thione
Basic information
- CAS
59631-30-0- Standard SMILES
Cc1ccccc1C1N(Cc2ccccc2)C(=S)C1(C(C)C)C(C)(C)C- InChIKey
KLTCNFQRIGHDIR-UHFFFAOYSA-N- Molecular formula
- C24H31NS
- Average molar mass
- 365.6 g/mol
- Monoisotopic mass
- 365.21772117
Names & identifiers
- Preferred name
- 1-Benzyl-3-tert-butyl-4-(2-methylphenyl)-3-(propan-2-yl)azetidine-2-thione
- IUPAC
- 1-benzyl-3-tert-butyl-4-(2-methylphenyl)-3-propan-2-ylazetidine-2-thione
Names & synonyms
59631-30-0NSC278209DTXSID003139001-Benzyl-3-tert-butyl-4-(2-methylphenyl)-3-(propan-2-yl)azetidine-2-thioneNSC-278209
Database identifiers
- CAS
59631-30-0- PubChem CID
- 322170
- DTXSID
DTXSID00313900
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 499
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Compound notes
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