Thiamin diphosphate

Base Information

Chemical Name:Thiamin diphosphate
CAS No.:136-09-4
Molecular Formula:C12H18 N4 O7 P2 S
Molecular Weight:424.311
Hs Code.:
European Community (EC) Number:205-230-7
DSSTox Substance ID:DTXSID101335762
Wikipedia:Thiamine_pyrophosphate
ChEMBL ID:CHEMBL1236235
Mol file:136-09-4.mol

Synonyms:Berolase;Cocarboxylase;Pyrophosphate, Thiamine;Thiamine Diphosphate;Thiamine Pyrophosphate

Suppliers and Price of Thiamin diphosphate

Supply Marketing:

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

Total 12 raw suppliers

Chemical Property of Thiamin diphosphate

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
PSA：233.48000
Density:g/cm³
LogP:2.67130
Water Solubility.:77g/L at 20℃
XLogP3:-1.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:8
Exact Mass:424.03714409
Heavy Atom Count:26
Complexity:559

Purity/Quality:: 99.9% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)([O-])OP(=O)(O)O

Technology Process of Thiamin diphosphate

There total 4 articles about Thiamin diphosphate 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: 75.0%

: 70-16-6
Aneurin

: 136-09-4
thiamine pyrophosphate

Guidance literature:: With thiamin pyrophosphokinase; ATP; magnesium chloride; In water; at 20 ℃; for 12h; pH=8;
DOI:10.1016/j.bmcl.2003.07.026

Reference yield: 71.0%

: 137-00-8,8042-97-5
5-hydroxyethyl-4-methylthiazole

: 73-67-6
2-methyl-4-amino-5-hydroxymethylpyrimidine

: 136-09-4
thiamine pyrophosphate

Guidance literature:: With HMP-pyrimidine kinase; thiamin phosphate synthase; thiazole kinase; thiamin phosphate kinase; ATP; In water; at 20 ℃; for 12h; pH=8;
DOI:10.1016/j.bmcl.2003.07.026