Basic information
- CAS
2218-05-5- Standard SMILES
CNCC(S)c1ccccc1.Cl- InChIKey
SRXXNSWLJSNYGL-UHFFFAOYSA-N- Molecular formula
- C9H14ClNS
- Average molar mass
- 203.73 g/mol
- Monoisotopic mass
- 203.0535483
Names & identifiers
- Preferred name
- 2-(Methylamino)-1-phenylethane-1-thiol--hydrogen chloride (1/1)
- IUPAC
- 2-(methylamino)-1-phenylethanethiol;hydrochloride
Names & synonyms
2218-05-5DTXSID509448292-(Methylamino)-1-phenylethane-1-thiol--hydrogen chloride (1/1)RefChem:1061888DTXCID801373161alpha-((Methylamino)methyl)benzenemethanethiol hydrochlorideBenzenemethanethiol, alpha-((methylamino)methyl)-, hydrochloride
Database identifiers
- CAS
2218-05-5- PubChem CID
- 200525
- DTXSID
DTXSID50944829
Properties
Computed structural properties
- Topological polar surface area
- 13 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 99.7
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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