4-Methyl-1,2,3-thiadiazole-5-carbonyl chloride
TL;DR: 4-Methyl-1,2,3-thiadiazole-5-carbonyl chloride (CAS 59944-65-9) is a chemical compound with molecular formula C4H3ClN2OS and molecular weight 161.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylthiadiazole-5-carbonyl chloride
Also Known As: 4-methyl-1,2,3-thiadiazole-5-carbonyl chloride, 4-methylthiadiazole-5-carbonyl chloride, DL-3-(Trifluoromethyl)piperidine, 4-Methyl-1,2,3-Thiadiazole-5-CarbonylChloride, 1,2,3-Thiadiazole-5-carbonylchloride, 4-methyl-
| Molecular Formula | C4H3ClN2OS |
|---|---|
| Molecular Weight | 161.97 g/mol |
| LogP | 1.22552 |
| Topological Polar Surface Area | 42.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 161.96545 |
| Heavy Atoms | 9 |
| Complexity | 234.22644 |
Chemical Identifiers
| CAS Number | 59944-65-9 |
|---|---|
| SMILES | CC1=C(SN=N1)C(=O)Cl |
Product Overview
4-Methyl-1,2,3-thiadiazole-5-carbonyl chloride (CAS 59944-65-9), with molecular formula C4H3ClN2OS and molecular weight 161.97 g/mol. IUPAC: 4-methylthiadiazole-5-carbonyl chloride.
Chemical Property Profile of 4-Methyl-1,2,3-thiadiazole-5-carbonyl chloride
Property Insights of 4-Methyl-1,2,3-thiadiazole-5-carbonyl chloride
The XLogP value of 1.22552 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-1,2,3-thiadiazole-5-carbonyl chloride. With a topological polar surface area (TPSA) of 42.85 Ų, 4-Methyl-1,2,3-thiadiazole-5-carbonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-1,2,3-thiadiazole-5-carbonyl chloride has 0 hydrogen bond donor(s) and 4 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-Methyl-1,2,3-thiadiazole-5-carbonyl chloride?
The CAS number of 4-Methyl-1,2,3-thiadiazole-5-carbonyl chloride is 59944-65-9.
What is the molecular formula of 4-Methyl-1,2,3-thiadiazole-5-carbonyl chloride?
The molecular formula of 4-Methyl-1,2,3-thiadiazole-5-carbonyl chloride is C4H3ClN2OS.
What is the molecular weight of 4-Methyl-1,2,3-thiadiazole-5-carbonyl chloride?
The molecular weight of 4-Methyl-1,2,3-thiadiazole-5-carbonyl chloride is 161.97 g/mol.
Where can I buy 4-Methyl-1,2,3-thiadiazole-5-carbonyl chloride?
You can request a quote for 4-Methyl-1,2,3-thiadiazole-5-carbonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-1,2,3-thiadiazole-5-carbonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-1,2,3-thiadiazole-5-carbonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.