Thiamine Hydrochloride
TL;DR: Thiamine Hydrochloride (CAS 67-03-8) is a chemical compound with molecular formula C12H18Cl2N4OS and molecular weight 336.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride
Also Known As: THIAMINE HYDROCHLORIDE, Thiamine HCL, Aneurine hydrochloride, Clotiamina, Eskaphen
| Molecular Formula | C12H18Cl2N4OS |
|---|---|
| Molecular Weight | 336.06 g/mol |
| LogP | -1.97 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.05783 |
| Heavy Atoms | 20 |
| Complexity | 268.0 |
| Solubility | Soluble in water, propylene glycol; Insoluble in ether, benzene, hexane, chloroform |
Chemical Identifiers
| CAS Number | 67-03-8 |
|---|---|
| SMILES | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-] |
| InChIKey | DPJRMOMPQZCRJU-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiamine Hydrochloride (CAS 67-03-8), with molecular formula C12H18Cl2N4OS and molecular weight 336.06 g/mol. IUPAC: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride.
Chemical Property Profile of Thiamine Hydrochloride
Property Insights of Thiamine Hydrochloride
The XLogP value of -1.97 indicates that Thiamine Hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiamine Hydrochloride. Following Lipinski's Rule of Five, Thiamine Hydrochloride has 3 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 Thiamine Hydrochloride?
The CAS number of Thiamine Hydrochloride is 67-03-8.
What is the molecular formula of Thiamine Hydrochloride?
The molecular formula of Thiamine Hydrochloride is C12H18Cl2N4OS.
What is the molecular weight of Thiamine Hydrochloride?
The molecular weight of Thiamine Hydrochloride is 336.06 g/mol.
Where can I buy Thiamine Hydrochloride?
You can request a quote for Thiamine Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiamine Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Thiamine Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.