5-Methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride
TL;DR: 5-Methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride (CAS 1185293-68-8) is a chemical compound with molecular formula C7H5ClN2O2S2 and molecular weight 247.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride
Also Known As: 5-Methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride, 5-methyl-azepan-4-one, 1712AE, BAS 02559379, 5-Methylbenzo-2,1,3-thiadiazole-4-sulfonyl chloride
| Molecular Formula | C7H5ClN2O2S2 |
|---|---|
| Molecular Weight | 247.95 g/mol |
| LogP | 1.92722 |
| Topological Polar Surface Area | 59.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.9481 |
| Heavy Atoms | 14 |
| Complexity | 590.7556 |
Chemical Identifiers
| CAS Number | 1185293-68-8 |
|---|---|
| SMILES | CC1=C(C2=NSN=C2C=C1)S(=O)(=O)Cl |
Product Overview
5-Methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride (CAS 1185293-68-8), with molecular formula C7H5ClN2O2S2 and molecular weight 247.95 g/mol. IUPAC: 5-methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride.
Chemical Property Profile of 5-Methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride
Property Insights of 5-Methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride
The XLogP value of 1.92722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride. With a topological polar surface area (TPSA) of 59.92 Ų, 5-Methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride has 0 hydrogen bond donor(s) and 5 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-Methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride?
The CAS number of 5-Methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride is 1185293-68-8.
What is the molecular formula of 5-Methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride?
The molecular formula of 5-Methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride is C7H5ClN2O2S2.
What is the molecular weight of 5-Methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride?
The molecular weight of 5-Methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride is 247.95 g/mol.
Where can I buy 5-Methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride?
You can request a quote for 5-Methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.