1-Thiosorbitol

Base Information

• Chemical Name: 1-Thiosorbitol
• CAS No.: 24531-57-5
• Molecular Formula: C₆H₁₄O₅S
• Molecular Weight: 198.24
• UNII: 651QC4324R
• DSSTox Substance ID: DTXSID901338796
• Nikkaji Number: J34.237H
• Wikidata: Q27263809
• Mol file: 24531-57-5.mol

Synonyms:1-thiosorbitol;thiosorbitol;Sorbitol, 1-thio-;1-Thiosorbitol [MI];D-Glucitol, 1-thio-;1-Deoxy-1-mercapto-D-sorbitol;24531-57-5;UNII-651QC4324R;651QC4324R;1-thio-d-glucitol;SCHEMBL521727;DTXSID901338796;Glucitol, 1-deoxy-1-thio-, D-;Q27263809

Chemical Property of 1-Thiosorbitol

Chemical Property:

• PSA: 139.95000
• LogP: -2.64790
• XLogP3: -2.1
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 198.05619472
• Heavy Atom Count: 12
• Complexity: 123

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C(C(C(CS)O)O)O)O)O
• Isomeric SMILES: C([C@H]([C@H]([C@@H]([C@H](CS)O)O)O)O)O

Technology Process of 1-Thiosorbitol

There total 2 articles about 1-Thiosorbitol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

D-glucose (50-99-7) → 1-Thio-D-sorbit (24531-57-5)

Guidance literature:

With cobalt polysulfide; water; hydrogen; sulfur; at 125 - 150 ℃; under 51485.6 - 73550.8 Torr;

Reference yield:

D-glucose (50-99-7) + water (7732-18-5) → 1-Thio-D-sorbit (24531-57-5)

Guidance literature:

at 125 - 150 ℃; under 100 - 58105.1 Torr;

upstream raw materials:

D-glucose

water