Thiazolium, 4-methyl-3-(phenylmethyl)-
TL;DR: Thiazolium, 4-methyl-3-(phenylmethyl)- (CAS 28418-79-3) is a chemical compound with molecular formula C11H12NS+ and molecular weight 190.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-4-methyl-1,3-thiazol-3-ium
Also Known As: 3-Benzyl-4-methylthiazolium, 3-benzyl-4-methyl-1,3-thiazol-3-ium, Thiazolium, 4-methyl-3-(phenylmethyl)-, 3-benzyl-4-methyl-1,3-thiazole, Thiazolium,4-methyl-3-(phenylmethyl)
| Molecular Formula | C11H12NS+ |
|---|---|
| Molecular Weight | 190.07 g/mol |
| LogP | 2.39232 |
| Topological Polar Surface Area | 3.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.06905 |
| Heavy Atoms | 13 |
| Complexity | 377.99863 |
Chemical Identifiers
| CAS Number | 28418-79-3 |
|---|---|
| SMILES | CC1=CSC=[N+]1CC2=CC=CC=C2 |
Product Overview
Thiazolium, 4-methyl-3-(phenylmethyl)- (CAS 28418-79-3), with molecular formula C11H12NS+ and molecular weight 190.07 g/mol. IUPAC: 3-benzyl-4-methyl-1,3-thiazol-3-ium.
Chemical Property Profile of Thiazolium, 4-methyl-3-(phenylmethyl)-
Property Insights of Thiazolium, 4-methyl-3-(phenylmethyl)-
The XLogP value of 2.39232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiazolium, 4-methyl-3-(phenylmethyl)-. With a topological polar surface area (TPSA) of 3.88 Ų, Thiazolium, 4-methyl-3-(phenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiazolium, 4-methyl-3-(phenylmethyl)- has 0 hydrogen bond donor(s) and 1 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 Thiazolium, 4-methyl-3-(phenylmethyl)-?
The CAS number of Thiazolium, 4-methyl-3-(phenylmethyl)- is 28418-79-3.
What is the molecular formula of Thiazolium, 4-methyl-3-(phenylmethyl)-?
The molecular formula of Thiazolium, 4-methyl-3-(phenylmethyl)- is C11H12NS+.
What is the molecular weight of Thiazolium, 4-methyl-3-(phenylmethyl)-?
The molecular weight of Thiazolium, 4-methyl-3-(phenylmethyl)- is 190.07 g/mol.
Where can I buy Thiazolium, 4-methyl-3-(phenylmethyl)-?
You can request a quote for Thiazolium, 4-methyl-3-(phenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiazolium, 4-methyl-3-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Thiazolium, 4-methyl-3-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.