5-Methylisoxazole-3-carbothioamide
TL;DR: 5-Methylisoxazole-3-carbothioamide (CAS 77358-26-0) is a chemical compound with molecular formula C5H6N2OS and molecular weight 142.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1,2-oxazole-3-carbothioamide
Also Known As: 5-Methylisoxazole-3-carbothioamide, 5-methyl-1,2-oxazole-3-carbothioamide, 5-Methylisoxazole-3-thiocarboxamide, 5-methyl-isoxazole-3-carbothioamide, 3-Isoxazolecarbothioamide,5-methyl-
| Molecular Formula | C5H6N2OS |
|---|---|
| Molecular Weight | 142.02 g/mol |
| LogP | 0.61722 |
| Topological Polar Surface Area | 52.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 142.02008 |
| Heavy Atoms | 9 |
| Complexity | 230.61679 |
Chemical Identifiers
| CAS Number | 77358-26-0 |
|---|---|
| SMILES | CC1=CC(=NO1)C(=S)N |
Product Overview
5-Methylisoxazole-3-carbothioamide (CAS 77358-26-0), with molecular formula C5H6N2OS and molecular weight 142.02 g/mol. IUPAC: 5-methyl-1,2-oxazole-3-carbothioamide.
Chemical Property Profile of 5-Methylisoxazole-3-carbothioamide
Property Insights of 5-Methylisoxazole-3-carbothioamide
The XLogP value of 0.61722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methylisoxazole-3-carbothioamide. With a topological polar surface area (TPSA) of 52.05 Ų, 5-Methylisoxazole-3-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methylisoxazole-3-carbothioamide has 1 hydrogen bond donor(s) and 3 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 5-Methylisoxazole-3-carbothioamide?
The CAS number of 5-Methylisoxazole-3-carbothioamide is 77358-26-0.
What is the molecular formula of 5-Methylisoxazole-3-carbothioamide?
The molecular formula of 5-Methylisoxazole-3-carbothioamide is C5H6N2OS.
What is the molecular weight of 5-Methylisoxazole-3-carbothioamide?
The molecular weight of 5-Methylisoxazole-3-carbothioamide is 142.02 g/mol.
Where can I buy 5-Methylisoxazole-3-carbothioamide?
You can request a quote for 5-Methylisoxazole-3-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methylisoxazole-3-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 5-Methylisoxazole-3-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.