O-(Thiocarbamimidoyl)-O-(toluene-p-sulphonyl)cholest-5-ene-3beta-thiol

Base Information

• Chemical Name: O-(Thiocarbamimidoyl)-O-(toluene-p-sulphonyl)cholest-5-ene-3beta-thiol
• CAS No.: 63469-10-3
• Molecular Formula: C35H56N2O3S2
• Molecular Weight: 616.973
• Mol file: 63469-10-3.mol

Synonyms:EINECS 264-259-3;O-(Thiocarbamimidoyl)-O-(toluene-p-sulphonyl)cholest-5-ene-3beta-thiol;Cholest-5-ene-3-thiol, 3-carbamimidothioate, (3beta)-, 4-methylbenzenesulfonate (1:1);Cholest-5-ene-3-thiol, carbamimidothioate, (3beta)-, mono(4-methylbenzenesulfonate);C28H48N2S.C7H8O3S;C28-H48-N2-S.C7-H8-O3-S

Chemical Property of O-(Thiocarbamimidoyl)-O-(toluene-p-sulphonyl)cholest-5-ene-3beta-thiol

Chemical Property:

• PSA: 137.92000
• LogP: 11.14560
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 616.37323600
• Heavy Atom Count: 42
• Complexity: 906

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)SC(=N)N)C)C
• Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)SC(=N)N)C)C

Technology Process of O-(Thiocarbamimidoyl)-O-(toluene-p-sulphonyl)cholest-5-ene-3beta-thiol

There total 1 articles about O-(Thiocarbamimidoyl)-O-(toluene-p-sulphonyl)cholest-5-ene-3beta-thiol 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:

ethanol (64-17-5) + i-cholesteryl methyl ether (2867-93-8,60175-48-6,84985-77-3,103365-95-3,122406-68-2) + toluene-4-sulfonic acid (104-15-4) + thiourea (17356-08-0) → S-cholesteryl-isothiourea; toluene-4-sulfonate (63469-10-3)

Guidance literature:

DOI:10.1021/ja01183a086

Reference yield:

S-cholesteryl-isothiourea; toluene-4-sulfonate (63469-10-3) → thiocholesterol (1249-81-6)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01183a086

upstream raw materials:

ethanol

i-cholesteryl methyl ether

toluene-4-sulfonic acid

thiourea

Downstream raw materials:

thiocholesterol