Isothiazole, trimethyl-
TL;DR: Isothiazole, trimethyl- (CAS 39228-36-9) is a chemical compound with molecular formula C6H9NS and molecular weight 127.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-trimethyl-1,2-thiazole
Also Known As: Trimethylisothiazole, Isothiazole, trimethyl-, 3,4,5-Trimethylisothiazole, trimethyl-1,2-thiazole, 3,4,5-trimethyl-1,2-thiazole
| Molecular Formula | C6H9NS |
|---|---|
| Molecular Weight | 127.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 127.04557 |
| Heavy Atoms | 8 |
| Complexity | 84.0 |
Chemical Identifiers
| CAS Number | 39228-36-9 |
|---|---|
| SMILES | CC1=C(SN=C1C)C |
| InChIKey | GGRRWFKQGMXXQS-UHFFFAOYSA-N |
Product Overview
Isothiazole, trimethyl- (CAS 39228-36-9), with molecular formula C6H9NS and molecular weight 127.05 g/mol. IUPAC: 3,4,5-trimethyl-1,2-thiazole.
Chemical Property Profile of Isothiazole, trimethyl-
Property Insights of Isothiazole, trimethyl-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isothiazole, trimethyl-. With a topological polar surface area (TPSA) of 41.1 Ų, Isothiazole, trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isothiazole, trimethyl- 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 Isothiazole, trimethyl-?
The CAS number of Isothiazole, trimethyl- is 39228-36-9.
What is the molecular formula of Isothiazole, trimethyl-?
The molecular formula of Isothiazole, trimethyl- is C6H9NS.
What is the molecular weight of Isothiazole, trimethyl-?
The molecular weight of Isothiazole, trimethyl- is 127.05 g/mol.
Where can I buy Isothiazole, trimethyl-?
You can request a quote for Isothiazole, trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isothiazole, trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Isothiazole, trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.