o-Toluic acid, alpha-(phenylthio)-, 2-(dimethylamino)ethyl ester, hydrochloride
Basic information
- CAS
14188-02-4- Standard SMILES
CN(C)CCOC(=O)c1ccccc1CSc1ccccc1.Cl- InChIKey
UQXSSZKFPFRLOY-UHFFFAOYSA-N- Molecular formula
- C18H22ClNO2S
- Average molar mass
- 351.9 g/mol
- Monoisotopic mass
- 351.1059778
Names & identifiers
- Preferred name
- o-Toluic acid, alpha-(phenylthio)-, 2-(dimethylamino)ethyl ester, hydrochloride
- IUPAC
- 2-(dimethylamino)ethyl 2-(phenylsulfanylmethyl)benzoate;hydrochloride
Names & synonyms
o-Toluic acid, alpha-(phenylthio)-, 2-(dimethylamino)ethyl ester, hydrochloridealpha-(Phenylthio)-o-toluic acid 2-(dimethylamino)ethyl ester hydrochloride14188-02-4DTXSID40161841RefChem:366573DTXCID70843322-(Dimethylamino)ethyl 2-[(phenylsulfanyl)methyl]benzoate--hydrogen chloride (1/1)
Database identifiers
- CAS
14188-02-4- PubChem CID
- 203349
- DTXSID
DTXSID40161841
Properties
Computed structural properties
- Topological polar surface area
- 54.8 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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