Basic information
- CAS
67049-46-1- Standard SMILES
CCSc1ccccc1C(=O)OCCN1CCCCC1- InChIKey
FIQHLMDPUYIDTE-UHFFFAOYSA-N- Molecular formula
- C16H23NO2S
- Average molar mass
- 293.4 g/mol
- Monoisotopic mass
- 293.14495015
Names & identifiers
- Preferred name
- Benzoic acid, o-(ethylthio)-, 2-piperidinoethyl ester
- IUPAC
- 2-piperidin-1-ylethyl 2-ethylsulfanylbenzoate
- English name
- 2-Piperidinoethyl=o-(ethylthio)benzoate
- Molecular formula
- C16H23NO2S
- Molecular weight
- 293.42
Names & synonyms
beta-Piperidinoethyl o-ethylthiobenzoateBRN 0208358BENZOIC ACID, o-(ETHYLTHIO)-, 2-PIPERIDINOETHYL ESTERo-(Ethylthio)benzoic acid 2-piperidinoethyl ester67049-46-1DTXSID102173294-20-00-00426 (Beilstein Handbook Reference)RefChem:327765DTXCID601398202-(piperidin-1-yl)ethyl 2-(ethylsulfanyl)benzoate2-Piperidinoethyl=o-(ethylthio)benzoateBenzoic acid, 2-(ethylthio)-, 2-(1-piperidinyl)ethyl ester
Database identifiers
- CAS
67049-46-1- PubChem CID
- 49060
- DTXSID
DTXSID10217329- Nikkaji
- J83.409B
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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