Basic information
- CAS
34946-13-9- Standard SMILES
[Cl-].[NH3+]CCSc1ccccc1- InChIKey
ZHXISMXDCUJVCY-UHFFFAOYSA-N- Molecular formula
- C8H12ClNS
- Average molar mass
- 189.71 g/mol
- Monoisotopic mass
- 189.0378983
Names & identifiers
- Preferred name
- Ethanamine, 2-(phenylthio)-, hydrochloride
- IUPAC
- 2-phenylsulfanylethylazanium chloride
Names & synonyms
ETHANAMINE, 2-(PHENYLTHIO)-, HYDROCHLORIDERefChem:108429634946-13-92-(Phenylthio)ethanamine hydrochloride2-phenylsulfanylethylazanium;chloridePhenyl-2-aminoethyl sulfide hydrochloride
Database identifiers
- CAS
34946-13-9- PubChem CID
- 37012
Properties
Computed structural properties
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 79.3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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