Acetic acid, ((4-nitrophenyl)thio)-, compd. with 2,2'-iminobis(ethanol) (1:1)
bis(2-hydroxyethyl)azanium;2-(4-nitrophenyl)sulfanylacetate
Also Known As: AC1L1SIN|AC1Q1ZOW|RefChem:315996|((4-Nitrophenyl)thio)acetic acid 2,2'-iminobis(ethanol) (1:1)|bis(2-hydroxyethyl)azanium; 2-(4-nitrophenyl)sulfanylacetate|ACETIC ACID, ((4-NITROPHENYL)THIO)-, compd. with 2,2'-IMINOBIS(ETHANOL) (1:1)|((4-Nitrophenyl)thio)aceticacid2,2'-iminobis(ethanol)(1:1)|2-hydroxy-n-(2-hydroxyethyl)ethanaminium[(4-nitrophenyl)sulfanyl]acetate|2-Hydroxy-N-(2-hydroxyethyl)ethan-1-aminium [(4-nitrophenyl)sulfanyl]acetate
| Molecular Formula | C12H18N2O6S |
|---|---|
| Molecular Weight | 318.08856 g/mol |
| LogP | -2.03 |
| Topological Polar Surface Area | 140.34 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 318.08856 |
| Heavy Atoms | 21 |
| Complexity | 422.3 |
Chemical Identifiers
| CAS Number | 105892-19-1 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])SCC(=O)[O-].C(CO)[NH2+]CCO |
Product Overview
Acetic acid, ((4-nitrophenyl)thio)-, compd. with 2,2'-iminobis(ethanol) (1:1) (CAS 105892-19-1), with molecular formula C12H18N2O6S and molecular weight 318.08856 g/mol. IUPAC: bis(2-hydroxyethyl)azanium;2-(4-nitrophenyl)sulfanylacetate.
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