Methylsulfinylethylthiamine
TL;DR: Methylsulfinylethylthiamine (CAS 37934-17-1) is a chemical compound with molecular formula C13H20Cl2N4OS2 and molecular weight 382.05 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-methylsulfinylethyl)-1,3-thiazol-3-ium-3-yl]methyl]pyrimidin-4-amine;chloride;hydrochloride
Also Known As: Methylsulfinylethylthiamine, Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(2-(methylsulfinyl)ethyl)-, chloride, monohydrochloride, 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(methylsulfinyl)ethyl]-1,3-thiazol-3-ium chloride hydrochloride(1:1:1), 3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-4-methyl-5-(2-(methylsulfinyl)ethyl)thiazol-3-ium chloride hydrochloride, 2-methyl-5-[[4-methyl-5-(2-methylsulfinylethyl)-1,3-thiazol-3-ium-3-yl]methyl]pyrimidin-4-amine chloride hydrochloride
| Molecular Formula | C13H20Cl2N4OS2 |
|---|---|
| Molecular Weight | 382.05 g/mol |
| LogP | -1.58026 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.04556 |
| Heavy Atoms | 22 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 37934-17-1 |
|---|---|
| SMILES | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCS(=O)C.Cl.[Cl-] |
| InChIKey | VZVFDFSUPAHMEN-UHFFFAOYSA-M |
Product Overview
Methylsulfinylethylthiamine (CAS 37934-17-1), with molecular formula C13H20Cl2N4OS2 and molecular weight 382.05 g/mol. IUPAC: 2-methyl-5-[[4-methyl-5-(2-methylsulfinylethyl)-1,3-thiazol-3-ium-3-yl]methyl]pyrimidin-4-amine;chloride;hydrochloride.
Chemical Property Profile of Methylsulfinylethylthiamine
Property Insights of Methylsulfinylethylthiamine
The XLogP value of -1.58026 indicates that Methylsulfinylethylthiamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methylsulfinylethylthiamine. Following Lipinski's Rule of Five, Methylsulfinylethylthiamine has 2 hydrogen bond donor(s) and 7 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 Methylsulfinylethylthiamine?
The CAS number of Methylsulfinylethylthiamine is 37934-17-1.
What is the molecular formula of Methylsulfinylethylthiamine?
The molecular formula of Methylsulfinylethylthiamine is C13H20Cl2N4OS2.
What is the molecular weight of Methylsulfinylethylthiamine?
The molecular weight of Methylsulfinylethylthiamine is 382.05 g/mol.
Where can I buy Methylsulfinylethylthiamine?
You can request a quote for Methylsulfinylethylthiamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylsulfinylethylthiamine?
Yes, KEHONG BIO provides custom synthesis services for Methylsulfinylethylthiamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.