Basic information
- CAS
67031-78-1- Standard SMILES
CCCSc1cccc(C(=O)OCCCN(CC)CC)c1- InChIKey
KWNMJCJSHOJOOT-UHFFFAOYSA-N- Molecular formula
- C17H27NO2S
- Average molar mass
- 309.5 g/mol
- Monoisotopic mass
- 309.17625028
Names & identifiers
- Preferred name
- BENZOIC ACID, m-(PROPYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER
- IUPAC
- 3-(diethylamino)propyl 3-propylsulfanylbenzoate
Names & synonyms
BENZOIC ACID, m-(PROPYLTHIO)-, 3-(DIETHYLAMINO)PROPYL ESTER67031-78-1BRN 3341907m-(Propylthio)benzoic acid 3-(diethylamino)propyl estergamma-Diethylaminopropyl m-propylthiobenzoate3-(DIETHYLAMINO)PROPYL 3-(PROPYLSULFANYL)BENZOATEDTXSID50217303
Database identifiers
- CAS
67031-78-1- PubChem CID
- 48939
- DTXSID
DTXSID50217303- Nikkaji
- J83.508K
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 282
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…