N-(Phenylsulfanyl)prop-2-en-1-amine
Basic information
- CAS
61076-24-2- Standard SMILES
C=CCNSc1ccccc1- InChIKey
CQBAYBCCNGZNMH-UHFFFAOYSA-N- Molecular formula
- C9H11NS
- Average molar mass
- 165.26 g/mol
- Monoisotopic mass
- 165.06122053
Names & identifiers
- Preferred name
- N-(Phenylsulfanyl)prop-2-en-1-amine
- IUPAC
- N-phenylsulfanylprop-2-en-1-amine
Names & synonyms
N-(Phenylsulfanyl)prop-2-en-1-amine61076-24-2DTXSID40314032RefChem:362852DTXCID40265156NSC280062SCHEMBL7251291NSC-280062
Database identifiers
- CAS
61076-24-2- PubChem CID
- 322453
- DTXSID
DTXSID40314032
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 108
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Compound notes
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