Benzoic acid, o-(ethylthio)-, 2-(dibutylamino)ethyl ester
Basic information
- CAS
67049-67-6- Standard SMILES
CCCCN(CCCC)CCOC(=O)c1ccccc1SCC- InChIKey
JTONJFVSNBYBSC-UHFFFAOYSA-N- Molecular formula
- C19H31NO2S
- Average molar mass
- 337.5 g/mol
- Monoisotopic mass
- 337.20755041
Names & identifiers
- Preferred name
- Benzoic acid, o-(ethylthio)-, 2-(dibutylamino)ethyl ester
- IUPAC
- 2-(dibutylamino)ethyl 2-ethylsulfanylbenzoate
Names & synonyms
BRN 3350074beta-Dibutylaminoethyl o-ethylthiobenzoateBENZOIC ACID, o-(ETHYLTHIO)-, 2-(DIBUTYLAMINO)ETHYL ESTER67049-67-6o-(Ethylthio)benzoic acid 2-(dibutylamino)ethyl ester3-10-00-00229 (Beilstein Handbook Reference)DTXSID80217331RefChem:327764DTXCID801398222-(dibutylamino)ethyl 2-(ethylsulfanyl)benzoate
Database identifiers
- CAS
67049-67-6- PubChem CID
- 49089
- DTXSID
DTXSID80217331- Nikkaji
- J83.402E
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 304
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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