BENZOIC ACID, o-(PROPYLTHIO)-, 2-(DIBUTYLAMINO)ETHYL ESTER

HCID 48936

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Basic information

CAS: 67031-75-8
Standard SMILES: CCCCN(CCCC)CCOC(=O)c1ccccc1SCCC
InChIKey: JPUASZCXUOJIJK-UHFFFAOYSA-N
Molecular formula: C20H33NO2S
Average molar mass: 351.5 g/mol
Monoisotopic mass: 351.22320047

Names & identifiers

Preferred name: BENZOIC ACID, o-(PROPYLTHIO)-, 2-(DIBUTYLAMINO)ETHYL ESTER
IUPAC: 2-(dibutylamino)ethyl 2-propylsulfanylbenzoate
English name: 2-(Dibutylamino)ethyl=o-(propylthio)benzoate
Molecular formula: C20H33NO2S
Molecular weight: 351.55

Names & synonyms

BENZOIC ACID, o-(PROPYLTHIO)-, 2-(DIBUTYLAMINO)ETHYL ESTER67031-75-8BRN 3356665o-(Propylthio)benzoic acid 2-(dibutylamino)ethyl esterbeta-Dibutylaminoethyl o-propylthiobenzoate2-(dibutylamino)ethyl 2-(propylsulfanyl)benzoateDTXSID702173002-(Dibutylamino)ethyl=o-(propylthio)benzoateBenzoic acid, 2-(propylthio)-, 2-(dibutylamino)ethyl ester

Database identifiers

CAS: 67031-75-8
PubChem CID: 48936
DTXSID: DTXSID70217300
Nikkaji: J83.505F

Properties

Computed structural properties

XLogP: 5.7
Topological polar surface area: 54.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 14
Heavy atoms: 24
Formal charge: 0
Complexity: 317

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