Basic information
- CAS
15150-16-0- Standard SMILES
C[NH+](C)CCOC(=O)c1ccccc1SCc1ccccc1.[Cl-]- InChIKey
RPHNCFOEIKYYJR-UHFFFAOYSA-N- Molecular formula
- C18H22ClNO2S
- Average molar mass
- 351.9 g/mol
- Monoisotopic mass
- 351.1059778
Names & identifiers
- Preferred name
- 2-(Dimethylamino)ethyl 2-(benzylsulfanyl)benzoate--hydrogen chloride (1/1)
- IUPAC
- 2-(2-benzylsulfanylbenzoyl)oxyethyl-dimethylazanium chloride
Names & synonyms
15150-16-0DTXSID609342712-(Dimethylamino)ethyl 2-(benzylsulfanyl)benzoate--hydrogen chloride (1/1)RefChem:1061784DTXCID101362923o-(Benzylthio)benzoic acid 2-(dimethylamino)ethyl ester hydrochlorideBENZOIC ACID, o-(BENZYLTHIO)-, 2-(DIMETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
15150-16-0- PubChem CID
- 27073
Properties
Computed structural properties
- Topological polar surface area
- 56 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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