5-Methoxy-1,3,4-thiadiazol-2(3H)-one
TL;DR: 5-Methoxy-1,3,4-thiadiazol-2(3H)-one (CAS 20956-95-0) is a chemical compound with molecular formula C3H4N2O2S and molecular weight 132.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-3H-1,3,4-thiadiazol-2-one
Also Known As: 5-methoxy-1,3,4-thiadiazol-2-ol, 5-methoxy-1,3,4-thiadiazol-2(3H)-one, 5-methoxy-3H-1,3,4-thiadiazol-2-one, 1,3,4-Thiadiazol-2(3H)-one, 5-methoxy-, 1,3,4-thiadiazol-2-ol, 5-methoxy-
| Molecular Formula | C3H4N2O2S |
|---|---|
| Molecular Weight | 132.00 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 131.99934 |
| Heavy Atoms | 8 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 20956-95-0 |
|---|---|
| SMILES | COC1=NNC(=O)S1 |
| InChIKey | LRENRSMVTOWJKZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methoxy-1,3,4-thiadiazol-2(3H)-one (CAS 20956-95-0), with molecular formula C3H4N2O2S and molecular weight 132.00 g/mol. IUPAC: 5-methoxy-3H-1,3,4-thiadiazol-2-one.
Chemical Property Profile of 5-Methoxy-1,3,4-thiadiazol-2(3H)-one
Property Insights of 5-Methoxy-1,3,4-thiadiazol-2(3H)-one
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methoxy-1,3,4-thiadiazol-2(3H)-one. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methoxy-1,3,4-thiadiazol-2(3H)-one. Following Lipinski's Rule of Five, 5-Methoxy-1,3,4-thiadiazol-2(3H)-one has 1 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 5-Methoxy-1,3,4-thiadiazol-2(3H)-one?
The CAS number of 5-Methoxy-1,3,4-thiadiazol-2(3H)-one is 20956-95-0.
What is the molecular formula of 5-Methoxy-1,3,4-thiadiazol-2(3H)-one?
The molecular formula of 5-Methoxy-1,3,4-thiadiazol-2(3H)-one is C3H4N2O2S.
What is the molecular weight of 5-Methoxy-1,3,4-thiadiazol-2(3H)-one?
The molecular weight of 5-Methoxy-1,3,4-thiadiazol-2(3H)-one is 132.00 g/mol.
Where can I buy 5-Methoxy-1,3,4-thiadiazol-2(3H)-one?
You can request a quote for 5-Methoxy-1,3,4-thiadiazol-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methoxy-1,3,4-thiadiazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Methoxy-1,3,4-thiadiazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.