4-Methylisothiazole
TL;DR: 4-Methylisothiazole (CAS 693-90-3) is a chemical compound with molecular formula CC1=CSN=C1 and molecular weight 99.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-1,2-thiazole
Also Known As: 4-Methylisothiazole, 4-methyl-1,2-thiazole, 4-METHYL-ISOTHIAZOLE, Isothiazole, 4-methyl-, 835-189-6
| Molecular Formula | CC1=CSN=C1 |
|---|---|
| Molecular Weight | 99.01 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 99.01427 |
| Heavy Atoms | 6 |
| Complexity | 46.0 |
Chemical Identifiers
| CAS Number | 693-90-3 |
|---|---|
| SMILES | CC1=CSN=C1 |
| InChIKey | YUTQRQJTFPEEPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methylisothiazole (CAS 693-90-3), with molecular formula CC1=CSN=C1 and molecular weight 99.01 g/mol. IUPAC: 4-methyl-1,2-thiazole.
Chemical Property Profile of 4-Methylisothiazole
Property Insights of 4-Methylisothiazole
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylisothiazole. With a topological polar surface area (TPSA) of 41.1 Ų, 4-Methylisothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylisothiazole has 0 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 4-Methylisothiazole?
The CAS number of 4-Methylisothiazole is 693-90-3.
What is the molecular formula of 4-Methylisothiazole?
The molecular formula of 4-Methylisothiazole is CC1=CSN=C1.
What is the molecular weight of 4-Methylisothiazole?
The molecular weight of 4-Methylisothiazole is 99.01 g/mol.
Where can I buy 4-Methylisothiazole?
You can request a quote for 4-Methylisothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylisothiazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylisothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.