Basic information
- CAS
14266-01-4- Standard SMILES
CN(C)CCCOC(=O)c1ccccc1CSc1ccccc1.Cl- InChIKey
PBWLGXZYZLTFJJ-UHFFFAOYSA-N- Molecular formula
- C19H24ClNO2S
- Average molar mass
- 365.9 g/mol
- Monoisotopic mass
- 365.1216279
Names & identifiers
- Preferred name
- o-Toluic acid, alpha-(phenylthio)-, 3-(dimethylamino)propyl ester, hydrochloride
- IUPAC
- 3-(dimethylamino)propyl 2-(phenylsulfanylmethyl)benzoate;hydrochloride
Names & synonyms
o-Toluic acid, alpha-(phenylthio)-, 3-(dimethylamino)propyl ester, hydrochloridealpha-(Phenylthio)-o-toluic acid 3-(dimethylamino)propyl ester hydrochloride14266-01-4DTXSID10162123RefChem:366574DTXCID80846143-(Dimethylamino)propyl 2-[(phenylsulfanyl)methyl]benzoate--hydrogen chloride (1/1)
Database identifiers
- CAS
14266-01-4- PubChem CID
- 203389
- DTXSID
DTXSID10162123
Properties
Computed structural properties
- Topological polar surface area
- 54.8 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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