Benzoic acid, thio-, O-2-morpholinoethyl ester, hydrochloride
O-(2-morpholin-4-ium-4-ylethyl) benzenecarbothioate chloride
Also Known As: ACMC-20mcc2|AC1Q1SQU|RefChem:327965|AC1L1T1N|CTK4A6550|Thiobenzoic acid O-2-morpholinoethyl ester hydrochloride|BENZOIC ACID, THIO-, O-2-MORPHOLINOETHYL ESTER, HYDROCHLORIDE|4-Morpholineethanol,4-benzenecarbothioate, hydrochloride (1:1)|4-{2-[(phenylcarbothioyl)oxy]ethyl}morpholin-4-ium chloride|O-(2-morpholin-4-ium-4-ylethyl) benzenecarbothioate chloride|O-(2-morpholin-4-ium-4-ylethyl) benzenecarbothioate,chloride|BENZOIC ACID,THIO-,O-2-MORPHOLINOETHYL ESTER,HYDROCHLORIDE
| Molecular Formula | C13H18ClNO2S |
|---|---|
| Molecular Weight | 287.07468 g/mol |
| LogP | -2.7 |
| Topological Polar Surface Area | 22.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.07468 |
| Heavy Atoms | 18 |
| Complexity | 355.3 |
Chemical Identifiers
| CAS Number | 109506-39-0 |
|---|---|
| SMILES | C1COCC[NH+]1CCOC(=S)C2=CC=CC=C2.[Cl-] |
Product Overview
Benzoic acid, thio-, O-2-morpholinoethyl ester, hydrochloride (CAS 109506-39-0), with molecular formula C13H18ClNO2S and molecular weight 287.07468 g/mol. IUPAC: O-(2-morpholin-4-ium-4-ylethyl) benzenecarbothioate chloride.
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