3-Methylisothiazole
TL;DR: 3-Methylisothiazole (CAS 693-92-5) is a chemical compound with molecular formula C4H5NS and molecular weight 99.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1,2-thiazole
Also Known As: 3-METHYLISOTHIAZOLE, 3-methyl-1,2-thiazole, 3-METHYL-ISOTHIAZOLE, Isothiazole, 3-methyl-, Isothiazole
| Molecular Formula | C4H5NS |
|---|---|
| Molecular Weight | 99.01 g/mol |
| LogP | 1.4 |
| 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 | 693-92-5 |
|---|---|
| SMILES | CC1=NSC=C1 |
| InChIKey | WOTIUKDGJBXFLG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylisothiazole (CAS 693-92-5), with molecular formula C4H5NS and molecular weight 99.01 g/mol. IUPAC: 3-methyl-1,2-thiazole.
Chemical Property Profile of 3-Methylisothiazole
Property Insights of 3-Methylisothiazole
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylisothiazole. With a topological polar surface area (TPSA) of 41.1 Ų, 3-Methylisothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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 3-Methylisothiazole?
The CAS number of 3-Methylisothiazole is 693-92-5.
What is the molecular formula of 3-Methylisothiazole?
The molecular formula of 3-Methylisothiazole is C4H5NS.
What is the molecular weight of 3-Methylisothiazole?
The molecular weight of 3-Methylisothiazole is 99.01 g/mol.
Where can I buy 3-Methylisothiazole?
You can request a quote for 3-Methylisothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylisothiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylisothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.