Basic information
- CAS
14188-05-7- Standard SMILES
C[NH+](C)CCCOC(=O)c1ccccc1SCc1ccccc1.[Cl-]- InChIKey
XFTAUJTYLXXSOK-UHFFFAOYSA-N- Molecular formula
- C19H24ClNO2S
- Average molar mass
- 365.9 g/mol
- Monoisotopic mass
- 365.1216279
Names & identifiers
- Preferred name
- 3-(Dimethylamino)propyl 2-(benzylsulfanyl)benzoate--hydrogen chloride (1/1)
- IUPAC
- 3-(2-benzylsulfanylbenzoyl)oxypropyl-dimethylazanium chloride
Names & synonyms
14188-05-7DTXSID909312333-(Dimethylamino)propyl 2-(benzylsulfanyl)benzoate--hydrogen chloride (1/1)RefChem:1067112DTXCID201359945o-(Benzylthio)benzoic acid 3-(dimethylamino)propyl ester hydrochlorideBENZOIC ACID, o-(BENZYLTHIO)-, 3-(DIMETHYLAMINO)PROPYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
14188-05-7- PubChem CID
- 26546
Properties
Computed structural properties
- Topological polar surface area
- 56 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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