Basic information
- CAS
67049-68-7- Standard SMILES
CCSc1cccc(C(=O)OCCN(CC)CC)c1- InChIKey
IESACUUUJPRMFX-UHFFFAOYSA-N- Molecular formula
- C15H23NO2S
- Average molar mass
- 281.4 g/mol
- Monoisotopic mass
- 281.14495015
Names & identifiers
- Preferred name
- BENZOIC ACID, m-(ETHYLTHIO)-, 2-(DIETHYLAMINO)ETHYL ESTER
- IUPAC
- 2-(diethylamino)ethyl 3-ethylsulfanylbenzoate
- English name
- 2-(Diethylamino)ethyl=m-(ethylthio)benzoate
- Molecular formula
- C15H23NO2S
- Molecular weight
- 281.41
Names & synonyms
BENZOIC ACID, m-(ETHYLTHIO)-, 2-(DIETHYLAMINO)ETHYL ESTER67049-68-7BRN 3318093beta-Diethylaminoethyl m-ethylthiobenzoatem-(Ethylthio)benzoic acid 2-(diethylamino)ethyl ester2-(diethylamino)ethyl 3-(ethylsulfanyl)benzoateDTXSID402173322-(Diethylamino)ethyl=m-(ethylthio)benzoateBenzoic acid, 3-(ethylthio)-, 2-(diethylamino)ethyl ester
Database identifiers
- CAS
67049-68-7- PubChem CID
- 49090
- DTXSID
DTXSID40217332- Nikkaji
- J83.403C
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
- 257
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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