Benzoic acid, p-(ethylthio)-, 2-(diethylamino)ethyl ester
Basic information
- CAS
67049-41-6- Standard SMILES
CCSc1ccc(C(=O)OCCN(CC)CC)cc1- InChIKey
VMEOCCLZZIVCBQ-UHFFFAOYSA-N- Molecular formula
- C15H23NO2S
- Average molar mass
- 281.4 g/mol
- Monoisotopic mass
- 281.14495015
Names & identifiers
- Preferred name
- Benzoic acid, p-(ethylthio)-, 2-(diethylamino)ethyl ester
- IUPAC
- 2-(diethylamino)ethyl 4-ethylsulfanylbenzoate
- English name
- 2-(Diethylamino)ethyl=p-(ethylthio)benzoate
- Molecular formula
- C15H23NO2S
- Molecular weight
- 281.41
Names & synonyms
BRN 2123388beta-Diethylaminoethyl p-ethylthiobenzoateBENZOIC ACID, p-(ETHYLTHIO)-, 2-(DIETHYLAMINO)ETHYL ESTER67049-41-6p-(Ethylthio)benzoic acid 2-(diethylamino)ethyl esterDTXSID102173243-10-00-00399 (Beilstein Handbook Reference)RefChem:327843DTXCID101398152-(diethylamino)ethyl 4-(ethylsulfanyl)benzoate2-(Diethylamino)ethyl=p-(ethylthio)benzoateBenzoic acid, 4-(ethylthio)-, 2-(diethylamino)ethyl ester
Database identifiers
- CAS
67049-41-6- PubChem CID
- 49055
- DTXSID
DTXSID10217324- Nikkaji
- J83.404A
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 249
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Compound notes
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