![5-Chloro-4-[(phenylsulfonyl)methyl]-1,2,3-thiadiazole structure](/static/products/3387/338795-05-4.webp)
5-Chloro-4-[(phenylsulfonyl)methyl]-1,2,3-thiadiazole
TL;DR: 5-Chloro-4-[(phenylsulfonyl)methyl]-1,2,3-thiadiazole (CAS 338795-05-4) is a chemical compound with molecular formula C9H7ClN2O2S2 and molecular weight 273.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzenesulfonylmethyl)-5-chlorothiadiazole
Also Known As: 5-chloro-4-[(phenylsulfonyl)methyl]-1,2,3-thiadiazole, 4-(benzenesulfonylmethyl)-5-chlorothiadiazole, 4-[(benzenesulfonyl)methyl]-5-chloro-1,2,3-thiadiazole, 4-(benzenesulfonylmethyl)-5-chloro-thiadiazole, 6H-954
| Molecular Formula | C9H7ClN2O2S2 |
|---|---|
| Molecular Weight | 273.96 g/mol |
| LogP | 2.1654 |
| Topological Polar Surface Area | 59.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.96375 |
| Heavy Atoms | 16 |
| Complexity | 580.5663 |
Chemical Identifiers
| CAS Number | 338795-05-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)CC2=C(SN=N2)Cl |
Product Overview
5-Chloro-4-[(phenylsulfonyl)methyl]-1,2,3-thiadiazole (CAS 338795-05-4), with molecular formula C9H7ClN2O2S2 and molecular weight 273.96 g/mol. IUPAC: 4-(benzenesulfonylmethyl)-5-chlorothiadiazole.
Chemical Property Profile of 5-Chloro-4-[(phenylsulfonyl)methyl]-1,2,3-thiadiazole
Property Insights of 5-Chloro-4-[(phenylsulfonyl)methyl]-1,2,3-thiadiazole
The XLogP value of 2.1654 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-4-[(phenylsulfonyl)methyl]-1,2,3-thiadiazole. With a topological polar surface area (TPSA) of 59.92 Ų, 5-Chloro-4-[(phenylsulfonyl)methyl]-1,2,3-thiadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-4-[(phenylsulfonyl)methyl]-1,2,3-thiadiazole 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-Chloro-4-[(phenylsulfonyl)methyl]-1,2,3-thiadiazole?
The CAS number of 5-Chloro-4-[(phenylsulfonyl)methyl]-1,2,3-thiadiazole is 338795-05-4.
What is the molecular formula of 5-Chloro-4-[(phenylsulfonyl)methyl]-1,2,3-thiadiazole?
The molecular formula of 5-Chloro-4-[(phenylsulfonyl)methyl]-1,2,3-thiadiazole is C9H7ClN2O2S2.
What is the molecular weight of 5-Chloro-4-[(phenylsulfonyl)methyl]-1,2,3-thiadiazole?
The molecular weight of 5-Chloro-4-[(phenylsulfonyl)methyl]-1,2,3-thiadiazole is 273.96 g/mol.
Where can I buy 5-Chloro-4-[(phenylsulfonyl)methyl]-1,2,3-thiadiazole?
You can request a quote for 5-Chloro-4-[(phenylsulfonyl)methyl]-1,2,3-thiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-4-[(phenylsulfonyl)methyl]-1,2,3-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-4-[(phenylsulfonyl)methyl]-1,2,3-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.