Thiazolium, 3-ethyl-5-(2-hydroxyethyl)-4-methyl-
TL;DR: Thiazolium, 3-ethyl-5-(2-hydroxyethyl)-4-methyl- (CAS 45892-42-0) is a chemical compound with molecular formula C8H14NOS+ and molecular weight 172.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-ethyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol
Also Known As: o-tolyl-dithiocarbamic acid, Thiazolium, 3-ethyl-5-(2-hydroxyethyl)-4-methyl-, 3-Ethyl-4-methyl-5-(2-hydroxyethyl)thiazolium, 3-ethyl-5-(2-hydroxyeth-yl)-4-methylthiazolium, 2-(3-ethyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol
| Molecular Formula | C8H14NOS+ |
|---|---|
| Molecular Weight | 172.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 52.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 172.0796 |
| Heavy Atoms | 11 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 45892-42-0 |
|---|---|
| SMILES | CC[N+]1=CSC(=C1C)CCO |
| InChIKey | NFDLWKHZVUNLME-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiazolium, 3-ethyl-5-(2-hydroxyethyl)-4-methyl- (CAS 45892-42-0), with molecular formula C8H14NOS+ and molecular weight 172.08 g/mol. IUPAC: 2-(3-ethyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol.
Chemical Property Profile of Thiazolium, 3-ethyl-5-(2-hydroxyethyl)-4-methyl-
Property Insights of Thiazolium, 3-ethyl-5-(2-hydroxyethyl)-4-methyl-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiazolium, 3-ethyl-5-(2-hydroxyethyl)-4-methyl-. With a topological polar surface area (TPSA) of 52.4 Ų, Thiazolium, 3-ethyl-5-(2-hydroxyethyl)-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiazolium, 3-ethyl-5-(2-hydroxyethyl)-4-methyl- has 1 hydrogen bond donor(s) and 2 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, 3-ethyl-5-(2-hydroxyethyl)-4-methyl-?
The CAS number of Thiazolium, 3-ethyl-5-(2-hydroxyethyl)-4-methyl- is 45892-42-0.
What is the molecular formula of Thiazolium, 3-ethyl-5-(2-hydroxyethyl)-4-methyl-?
The molecular formula of Thiazolium, 3-ethyl-5-(2-hydroxyethyl)-4-methyl- is C8H14NOS+.
What is the molecular weight of Thiazolium, 3-ethyl-5-(2-hydroxyethyl)-4-methyl-?
The molecular weight of Thiazolium, 3-ethyl-5-(2-hydroxyethyl)-4-methyl- is 172.08 g/mol.
Where can I buy Thiazolium, 3-ethyl-5-(2-hydroxyethyl)-4-methyl-?
You can request a quote for Thiazolium, 3-ethyl-5-(2-hydroxyethyl)-4-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiazolium, 3-ethyl-5-(2-hydroxyethyl)-4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Thiazolium, 3-ethyl-5-(2-hydroxyethyl)-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.