Cetotiamine

Base Information Edit

Chemical Name:Cetotiamine
CAS No.:137-76-8
Molecular Formula:C₁₈H₂₆N₄O₆S
Molecular Weight:426.494
Hs Code.:
UNII:67IKV111BO
Wikidata:Q27264140
NCI Thesaurus Code:C166911
ChEMBL ID:CHEMBL2105985
Mol file:137-76-8.mol

Synonyms:O,S-dicarbethoxythiamine

Suppliers and Price of Cetotiamine

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
CETOTIAMINE 95.00%
5MG
$ 497.35

Total 5 raw suppliers

Chemical Property of Cetotiamine Edit

Chemical Property:

Vapor Pressure:7.88E-15mmHg at 25°C
Melting Point:113.5-114.5°
Boiling Point:610.2°Cat760mmHg
Flash Point:322.8°C
PSA：159.24000
Density:1.277g/cm³
LogP:4.22710
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:13
Exact Mass:426.15730574
Heavy Atom Count:29
Complexity:589

Purity/Quality:

99% ^*data from raw suppliers

CETOTIAMINE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)OCCC(=C(C)N(CC1=CN=C(N=C1N)C)C=O)SC(=O)OCC
Isomeric SMILES:CCOC(=O)OCC/C(=C(\C)/N(CC1=CN=C(N=C1N)C)C=O)/SC(=O)OCC

Technology Process of Cetotiamine

There total 2 articles about Cetotiamine 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: