2-Mercaptobenzothiazole S-Glucuronate

Base Information

• Chemical Name: 2-Mercaptobenzothiazole S-Glucuronate
• CAS No.: 26400-10-2
• Deprecated CAS: 171828-10-7
• Molecular Formula: C13H13 N O6 S2
• Molecular Weight: 343.3754
• DSSTox Substance ID: DTXSID60949289
• Mol file: 26400-10-2.mol

Synonyms:2-Mercaptobenzothiazole S-Glucuronate;26400-10-2;beta-D-Glucopyranosiduronic acid, 2-benzothiazolyl 1-thio-;DTXSID60949289;1,3-Benzothiazol-2-yl 1-thiohexopyranosiduronic acid

Chemical Property of 2-Mercaptobenzothiazole S-Glucuronate

Chemical Property:

• Vapor Pressure: 1.45E-18mmHg at 25°C
• Boiling Point: 664.5°C at 760 mmHg
• Flash Point: 355.7°C
• Density: 1.74g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 343.01842948
• Heavy Atom Count: 22
• Complexity: 427

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(S2)SC3C(C(C(C(O3)C(=O)O)O)O)O
• Isomeric SMILES: C1=CC=C2C(=C1)N=C(S2)S[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O