Basic information
- CAS
127905-98-0- Standard SMILES
COc1ccccc1Sc1ccccc1CN.Cl- InChIKey
FAGMTVQHMKFFOT-UHFFFAOYSA-N- Molecular formula
- C14H16ClNOS
- Average molar mass
- 281.8 g/mol
- Monoisotopic mass
- 281.064113
Names & identifiers
- Preferred name
- Benzenemethanamine, 2-((2-methoxyphenyl)thio)-, hydrochloride
- IUPAC
- [2-(2-methoxyphenyl)sulfanylphenyl]methanamine;hydrochloride
Names & synonyms
Benzenemethanamine, 2-((2-methoxyphenyl)thio)-, hydrochloride2-((2-Methoxyphenyl)thio)benzenemethanamine hydrochloride127905-98-0DTXSID00155701RefChem:324709DTXCID20781921-{2-[(2-Methoxyphenyl)sulfanyl]phenyl}methanamine--hydrogen chloride (1/1)
Database identifiers
- CAS
127905-98-0- PubChem CID
- 3080296
- DTXSID
DTXSID00155701
Properties
Computed structural properties
- Topological polar surface area
- 60.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 224
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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