5-Methylisothiazol-3-ol
TL;DR: 5-Methylisothiazol-3-ol (CAS 125794-71-0) is a chemical compound with molecular formula C4H5NOS and molecular weight 115.009186 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-1,2-thiazol-3-one
Also Known As: 5-methylisothiazol-3-ol, 5-Methylisothiazol-3(2H)-one, 5-methyl-1,2-thiazol-3-one, 5-methyl-isothiazol-3-one, 3(2H)-Isothiazolone, 5-methyl-
Technical Specifications
| Molecular Formula | C4H5NOS |
| Molecular Weight | 115.009186 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 115.009186 Da |
| Heavy Atoms | 7 |
| Complexity | 130.0 |
| SMILES | CC1=CC(=O)NS1 |
| InChIKey | QXWKDPPQOJKKFQ-UHFFFAOYSA-N |
Chemical Property Profile of 5-Methylisothiazol-3-ol
Property Insights of 5-Methylisothiazol-3-ol
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methylisothiazol-3-ol. With a topological polar surface area (TPSA) of 54.4 Ų, 5-Methylisothiazol-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methylisothiazol-3-ol 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
What is the CAS number of 5-Methylisothiazol-3-ol?
The CAS number of 5-Methylisothiazol-3-ol is 125794-71-0.
What is the molecular formula of 5-Methylisothiazol-3-ol?
The molecular formula of 5-Methylisothiazol-3-ol is C4H5NOS.
What is the molecular weight of 5-Methylisothiazol-3-ol?
The molecular weight of 5-Methylisothiazol-3-ol is 115.009186 g/mol.
Where can I buy 5-Methylisothiazol-3-ol?
You can request a quote for 5-Methylisothiazol-3-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Methylisothiazol-3-ol?
Yes, CoreyChem provides custom synthesis services for 5-Methylisothiazol-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.