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| IUPAC Name: | sodium;3-(1,3-benzothiazol-2-ylsulfanyl)propane-1-sulfonate |
| Description: | Sodium 3-(benzothiazol-2-ylthio)-1-propanesulfonate (CAS# 49625-94-7) is a useful research chemical compound. |
| Molecular Weight: | 311.38 |
| Molecular Formula: | C10H10NNaO3S3 |
| Canonical SMILES: | C1=CC=C2C(=C1)N=C(S2)SCCCS(=O)(=O)[O-].[Na+] |
| InChI: | InChI=1S/C10H11NO3S3.Na/c12-17(13,14)7-3-6-15-10-11-8-4-1-2-5-9(8)16-10;/h1-2,4-5H,3,6-7H2,(H,12,13,14);/q;+1/p-1 |
| InChI Key: | VRKNGZAPJYUNSN-UHFFFAOYSA-M |
| Melting Point: | >320 °C (dec.) |
| Purity: | 95 % |
| Appearance: | Light yellow powder |
| LogP: | 3.40450 |
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