2,3-Dihydro-1,2,5-thiadiazol-3-one
TL;DR: 2,3-Dihydro-1,2,5-thiadiazol-3-one (CAS 5728-07-4) is a chemical compound with molecular formula C2H2N2OS and molecular weight 101.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,5-thiadiazol-3-one
Also Known As: 1,2,5-thiadiazol-3-ol, azathiazolinone, 1,2,5-thiadiazol-3-one, 2,3-dihydro-1,2,5-thiadiazol-3-one, 1,2,5-Thiadiazol-3(2H)-one
| Molecular Formula | C2H2N2OS |
|---|---|
| Molecular Weight | 101.99 g/mol |
| LogP | -0.1686 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 101.988785 |
| Heavy Atoms | 6 |
| Complexity | 149.31094 |
Chemical Identifiers
| CAS Number | 5728-07-4 |
|---|---|
| SMILES | C1=NSNC1=O |
Product Overview
2,3-Dihydro-1,2,5-thiadiazol-3-one (CAS 5728-07-4), with molecular formula C2H2N2OS and molecular weight 101.99 g/mol. IUPAC: 1,2,5-thiadiazol-3-one.
Chemical Property Profile of 2,3-Dihydro-1,2,5-thiadiazol-3-one
Property Insights of 2,3-Dihydro-1,2,5-thiadiazol-3-one
The XLogP value of -0.1686 indicates that 2,3-Dihydro-1,2,5-thiadiazol-3-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 45.75 Ų, 2,3-Dihydro-1,2,5-thiadiazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dihydro-1,2,5-thiadiazol-3-one has 1 hydrogen bond donor(s) and 3 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 2,3-Dihydro-1,2,5-thiadiazol-3-one?
The CAS number of 2,3-Dihydro-1,2,5-thiadiazol-3-one is 5728-07-4.
What is the molecular formula of 2,3-Dihydro-1,2,5-thiadiazol-3-one?
The molecular formula of 2,3-Dihydro-1,2,5-thiadiazol-3-one is C2H2N2OS.
What is the molecular weight of 2,3-Dihydro-1,2,5-thiadiazol-3-one?
The molecular weight of 2,3-Dihydro-1,2,5-thiadiazol-3-one is 101.99 g/mol.
Where can I buy 2,3-Dihydro-1,2,5-thiadiazol-3-one?
You can request a quote for 2,3-Dihydro-1,2,5-thiadiazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dihydro-1,2,5-thiadiazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dihydro-1,2,5-thiadiazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.