Basic information
- CAS
16780-08-8- Standard SMILES
CCOc1ccc(C(=S)OCC[NH+]2CCOCC2)cc1.[Cl-]- InChIKey
VMMXEXDKYRUNJS-UHFFFAOYSA-N- Molecular formula
- C15H22ClNO3S
- Average molar mass
- 331.9 g/mol
- Monoisotopic mass
- 331.1008924
Names & identifiers
- Preferred name
- Benzoic acid, p-ethoxythio-, O-2-morpholinoethyl ester, hydrochloride
- IUPAC
- O-(2-morpholin-4-ium-4-ylethyl) 4-ethoxybenzenecarbothioate chloride
Names & synonyms
p-Ethoxythiobenzoic acid O-2-morpholinoethyl ester hydrochlorideBENZOIC ACID, p-ETHOXYTHIO-, O-2-MORPHOLINOETHYL ESTER, HYDROCHLORIDE16780-08-8RefChem:327939
Database identifiers
- CAS
16780-08-8- PubChem CID
- 28062
Properties
Computed structural properties
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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