盐酸硫胺素
TL;DR: 盐酸硫胺素 (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.
盐酸硫胺素
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
盐酸硫胺素 (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 盐酸硫胺素
Property Insights of 盐酸硫胺素
The XLogP value of -1.97 indicates that 盐酸硫胺素 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 盐酸硫胺素. Following Lipinski's Rule of Five, 盐酸硫胺素 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 盐酸硫胺素?
The CAS number of 盐酸硫胺素 is 67-03-8.
What is the molecular formula of 盐酸硫胺素?
The molecular formula of 盐酸硫胺素 is C12H18Cl2N4OS.
What is the molecular weight of 盐酸硫胺素?
The molecular weight of 盐酸硫胺素 is 336.06 g/mol.
Where can I buy 盐酸硫胺素?
You can request a quote for 盐酸硫胺素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 盐酸硫胺素?
Yes, KEHONG BIO provides custom synthesis services for 盐酸硫胺素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.