Basic information
- CAS
15504-11-7- Standard SMILES
CCOc1ccc(C(=S)OCC[NH+](CC)CC)cc1.[Cl-]- InChIKey
JWLUSRATLCYJCD-UHFFFAOYSA-N- Molecular formula
- C15H24ClNO2S
- Average molar mass
- 317.9 g/mol
- Monoisotopic mass
- 317.1216279
Names & identifiers
- Preferred name
- Benzoic acid, p-ethoxythio-, O-2-(diethylamino)ethyl ester, hydrochloride
- IUPAC
- 2-(4-ethoxybenzenecarbothioyl)oxyethyl-diethylazanium chloride
Names & synonyms
p-Ethoxythiobenzoic acid O-2-(diethylamino)ethyl ester hydrochlorideBENZOIC ACID, p-ETHOXYTHIO-, O-2-(DIETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE15504-11-7RefChem:327937
Database identifiers
- CAS
15504-11-7- PubChem CID
- 27353
Properties
Computed structural properties
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 249
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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