Ethyl 5-(phenylsulfonyl)-1,2,3-thiadiazole-4-carboxylate
TL;DR: Ethyl 5-(phenylsulfonyl)-1,2,3-thiadiazole-4-carboxylate (CAS 306977-17-3) is a chemical compound with molecular formula C11H10N2O4S2 and molecular weight 298.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(benzenesulfonyl)thiadiazole-4-carboxylate
Also Known As: 12G-372S, ethyl 5-(benzenesulfonyl)thiadiazole-4-carboxylate, ethyl 5-(phenylsulfonyl)-1,2,3-thiadiazole-4-carboxylate, ethyl 5-(benzenesulfonyl)-1,2,3-thiadiazole-4-carboxylate, ethyl5-(benzenesulfonyl)-1,2,3-thiadiazole-4-carboxylate
| Molecular Formula | C11H10N2O4S2 |
|---|---|
| Molecular Weight | 298.01 g/mol |
| LogP | 1.5476 |
| Topological Polar Surface Area | 86.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.0082 |
| Heavy Atoms | 19 |
| Complexity | 679.7306 |
Chemical Identifiers
| CAS Number | 306977-17-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SN=N1)S(=O)(=O)C2=CC=CC=C2 |
Product Overview
Ethyl 5-(phenylsulfonyl)-1,2,3-thiadiazole-4-carboxylate (CAS 306977-17-3), with molecular formula C11H10N2O4S2 and molecular weight 298.01 g/mol. IUPAC: ethyl 5-(benzenesulfonyl)thiadiazole-4-carboxylate.
Chemical Property Profile of Ethyl 5-(phenylsulfonyl)-1,2,3-thiadiazole-4-carboxylate
Property Insights of Ethyl 5-(phenylsulfonyl)-1,2,3-thiadiazole-4-carboxylate
The XLogP value of 1.5476 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-(phenylsulfonyl)-1,2,3-thiadiazole-4-carboxylate. The TPSA of 86.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-(phenylsulfonyl)-1,2,3-thiadiazole-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-(phenylsulfonyl)-1,2,3-thiadiazole-4-carboxylate has 0 hydrogen bond donor(s) and 7 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 Ethyl 5-(phenylsulfonyl)-1,2,3-thiadiazole-4-carboxylate?
The CAS number of Ethyl 5-(phenylsulfonyl)-1,2,3-thiadiazole-4-carboxylate is 306977-17-3.
What is the molecular formula of Ethyl 5-(phenylsulfonyl)-1,2,3-thiadiazole-4-carboxylate?
The molecular formula of Ethyl 5-(phenylsulfonyl)-1,2,3-thiadiazole-4-carboxylate is C11H10N2O4S2.
What is the molecular weight of Ethyl 5-(phenylsulfonyl)-1,2,3-thiadiazole-4-carboxylate?
The molecular weight of Ethyl 5-(phenylsulfonyl)-1,2,3-thiadiazole-4-carboxylate is 298.01 g/mol.
Where can I buy Ethyl 5-(phenylsulfonyl)-1,2,3-thiadiazole-4-carboxylate?
You can request a quote for Ethyl 5-(phenylsulfonyl)-1,2,3-thiadiazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-(phenylsulfonyl)-1,2,3-thiadiazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-(phenylsulfonyl)-1,2,3-thiadiazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.