[1-(Phenylsulfanylmethyl)cyclobutyl]methanamine
Basic information
- CAS
1387575-94-1- Standard SMILES
NCC1(CSc2ccccc2)CCC1- InChIKey
SFYZQIBWIYYQHL-UHFFFAOYSA-N- Molecular formula
- C12H17NS
- Average molar mass
- 207.34 g/mol
- Monoisotopic mass
- 207.10817072
Names & identifiers
- Preferred name
- [1-(Phenylsulfanylmethyl)cyclobutyl]methanamine
- IUPAC
- [1-(phenylsulfanylmethyl)cyclobutyl]methanamine
Names & synonyms
[1-(phenylsulfanylmethyl)cyclobutyl]methanamineDTXSID7012437471387575-94-1Cyclobutanemethanamine, 1-[(phenylthio)methyl]-1-{1-[(Phenylsulfanyl)methyl]cyclobutyl}methanamine
Database identifiers
- CAS
1387575-94-1- PubChem CID
- 97033934
- DTXSID
DTXSID701243747
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 171
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Compound notes
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