Basic information
- CAS
109506-39-0- Standard SMILES
S=C(OCC[NH+]1CCOCC1)c1ccccc1.[Cl-]- InChIKey
BYDSAXGPOLGRNH-UHFFFAOYSA-N- Molecular formula
- C13H18ClNO2S
- Average molar mass
- 287.81 g/mol
- Monoisotopic mass
- 287.0746777
Names & identifiers
- Preferred name
- Benzoic acid, thio-, O-2-morpholinoethyl ester, hydrochloride
- IUPAC
- O-(2-morpholin-4-ium-4-ylethyl) benzenecarbothioate chloride
Names & synonyms
Thiobenzoic acid O-2-morpholinoethyl ester hydrochloride109506-39-0BENZOIC ACID, THIO-, O-2-MORPHOLINOETHYL ESTER, HYDROCHLORIDERefChem:327965
Database identifiers
- CAS
109506-39-0- PubChem CID
- 60338
Properties
Computed structural properties
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 236
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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