Sodium 3-(benzothiazol-2-ylthio)-1-propanesulfonate

• CAS: 49625-94-7
• Catalog Number: ACM49625947-1
• Category: Other Products
• Molecular Weight: 311.4
• Molecular Formula: C10H10NNaO3S3
• Synonyms: 1-Propanesulfonic acid, 3-(2-benzothiazolylthio)-, sodium salt
• IUPAC Name: Sodium;3-(1,3-benzothiazol-2-ylsulfanyl)propane-1-sulfonate
• 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
• Solubility: Soluble in water
• Appearance: Powder
• Storage: Keep in dark place, inert atmosphere, room temperature
• Exact Mass: 310.97205098
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 0
• Monoisotopic Mass: 310.97205098
• Rotatable Bond Count: 5
• Topological Polar Surface Area: 132 Ų