Methylthioethylthiamine
TL;DR: Methylthioethylthiamine (CAS 37934-18-2) is a chemical compound with molecular formula C13H20Cl2N4S2 and molecular weight 366.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-[[4-methyl-5-(2-methylsulfanylethyl)-1,3-thiazol-3-ium-3-yl]methyl]pyrimidin-4-amine;chloride;hydrochloride
Also Known As: Methylthioethylthiamine, Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(2-(methylthio)ethyl)-, chloride, monohydrochloride, 3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-4-methyl-5-(2-(methylthio)ethyl)thiazol-3-ium chloride hydrochloride, 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(methylsulfanyl)ethyl]-1,3-thiazol-3-ium chloride hydrochloride(1:1:1), 2-methyl-5-[[4-methyl-5-(2-methylsulfanylethyl)-1,3-thiazol-3-ium-3-yl]methyl]pyrimidin-4-amine chloride hydrochloride
| Molecular Formula | C13H20Cl2N4S2 |
|---|---|
| Molecular Weight | 366.05 g/mol |
| LogP | -0.59576 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.05066 |
| Heavy Atoms | 21 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 37934-18-2 |
|---|---|
| SMILES | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCSC.Cl.[Cl-] |
| InChIKey | ZBXGMILJYIHDTH-UHFFFAOYSA-M |
Product Overview
Methylthioethylthiamine (CAS 37934-18-2), with molecular formula C13H20Cl2N4S2 and molecular weight 366.05 g/mol. IUPAC: 2-methyl-5-[[4-methyl-5-(2-methylsulfanylethyl)-1,3-thiazol-3-ium-3-yl]methyl]pyrimidin-4-amine;chloride;hydrochloride.
Chemical Property Profile of Methylthioethylthiamine
Property Insights of Methylthioethylthiamine
The XLogP value of -0.59576 indicates that Methylthioethylthiamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methylthioethylthiamine. Following Lipinski's Rule of Five, Methylthioethylthiamine 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 Methylthioethylthiamine?
The CAS number of Methylthioethylthiamine is 37934-18-2.
What is the molecular formula of Methylthioethylthiamine?
The molecular formula of Methylthioethylthiamine is C13H20Cl2N4S2.
What is the molecular weight of Methylthioethylthiamine?
The molecular weight of Methylthioethylthiamine is 366.05 g/mol.
Where can I buy Methylthioethylthiamine?
You can request a quote for Methylthioethylthiamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylthioethylthiamine?
Yes, KEHONG BIO provides custom synthesis services for Methylthioethylthiamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.