Glucosiduronic acid, 2-benzothiazolyl-1-thio-
(2S,3S,4S,5R)-6-(1,3-benzothiazol-2-ylsulfanyl)-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Glucosiduronic acid, 2-benzothiazolyl-1-thio-|(2S,3S,4S,5R)-6-(1,3-benzothiazol-2-ylsulfanyl)-3,4,5-trihydroxyoxane-2-carboxylic acid
CAS: 452-44-8
| Molecular Formula | C13H13NO6S2 |
|---|---|
| Molecular Weight | 343.01843 g/mol |
| LogP | 0.2806 |
| Topological Polar Surface Area | 120.11 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.01843 |
| Monoisotopic Mass | 343.01843 |
| Heavy Atoms | 22 |
| Complexity | 658.9751 |
Chemical Identifiers
| CAS Number | 452-44-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O |
Product Overview
Glucosiduronic acid, 2-benzothiazolyl-1-thio- (CAS 452-44-8), with molecular formula C13H13NO6S2 and molecular weight 343.01843 g/mol. IUPAC: (2S,3S,4S,5R)-6-(1,3-benzothiazol-2-ylsulfanyl)-3,4,5-trihydroxyoxane-2-carboxylic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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