Thiothiamine
TL;DR: Thiothiamine (CAS 299-35-4) is a chemical compound with molecular formula C12H16N4OS2 and molecular weight 296.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazole-2-thione
Also Known As: Thiothiamine, Thioxothiamine, Thiothiamin, sulbone, Fmrfamide
| Molecular Formula | C12H16N4OS2 |
|---|---|
| Molecular Weight | 296.08 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.07657 |
| Heavy Atoms | 19 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 299-35-4 |
|---|---|
| SMILES | CC1=C(SC(=S)N1CC2=CN=C(N=C2N)C)CCO |
| InChIKey | SQOCQQPFEFRKBV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiothiamine (CAS 299-35-4), with molecular formula C12H16N4OS2 and molecular weight 296.08 g/mol. IUPAC: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazole-2-thione.
Chemical Property Profile of Thiothiamine
Property Insights of Thiothiamine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiothiamine. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiothiamine. Following Lipinski's Rule of Five, Thiothiamine has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thiothiamine?
The CAS number of Thiothiamine is 299-35-4.
What is the molecular formula of Thiothiamine?
The molecular formula of Thiothiamine is C12H16N4OS2.
What is the molecular weight of Thiothiamine?
The molecular weight of Thiothiamine is 296.08 g/mol.
Where can I buy Thiothiamine?
You can request a quote for Thiothiamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiothiamine?
Yes, KEHONG BIO provides custom synthesis services for Thiothiamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.