2H-1,2,4-Oxadiazin-3(4H)-one, dihydro-5-thioxo-
TL;DR: 2H-1,2,4-Oxadiazin-3(4H)-one, dihydro-5-thioxo- (CAS 59696-55-8) 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-sulfanylidene-1,2,4-oxadiazinan-3-one
Also Known As: 5-sulfanylidene-1,2,4-oxadiazinan-3-one, 2H-1,2,4-Oxadiazin-3(4H)-one, dihydro-5-thioxo-, 5-thioxo-1,2,4-oxadiazinan-3-one, 6H-1,2,4-Oxadiazin-3(2H)-on-5(4H)-thion, 6H-1,2,4-oxadiazin-3(2H)-one-5(4H)-thione
| Molecular Formula | C3H4N2O2S |
|---|---|
| Molecular Weight | 132.00 g/mol |
| LogP | -0.4418 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 131.99934 |
| Heavy Atoms | 8 |
| Complexity | 121.24511 |
Chemical Identifiers
| CAS Number | 59696-55-8 |
|---|---|
| SMILES | C1C(=S)NC(=O)NO1 |
Product Overview
2H-1,2,4-Oxadiazin-3(4H)-one, dihydro-5-thioxo- (CAS 59696-55-8), with molecular formula C3H4N2O2S and molecular weight 132.00 g/mol. IUPAC: 5-sulfanylidene-1,2,4-oxadiazinan-3-one.
Chemical Property Profile of 2H-1,2,4-Oxadiazin-3(4H)-one, dihydro-5-thioxo-
Property Insights of 2H-1,2,4-Oxadiazin-3(4H)-one, dihydro-5-thioxo-
The XLogP value of -0.4418 indicates that 2H-1,2,4-Oxadiazin-3(4H)-one, dihydro-5-thioxo- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.36 Ų, 2H-1,2,4-Oxadiazin-3(4H)-one, dihydro-5-thioxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,2,4-Oxadiazin-3(4H)-one, dihydro-5-thioxo- has 2 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 2H-1,2,4-Oxadiazin-3(4H)-one, dihydro-5-thioxo-?
The CAS number of 2H-1,2,4-Oxadiazin-3(4H)-one, dihydro-5-thioxo- is 59696-55-8.
What is the molecular formula of 2H-1,2,4-Oxadiazin-3(4H)-one, dihydro-5-thioxo-?
The molecular formula of 2H-1,2,4-Oxadiazin-3(4H)-one, dihydro-5-thioxo- is C3H4N2O2S.
What is the molecular weight of 2H-1,2,4-Oxadiazin-3(4H)-one, dihydro-5-thioxo-?
The molecular weight of 2H-1,2,4-Oxadiazin-3(4H)-one, dihydro-5-thioxo- is 132.00 g/mol.
Where can I buy 2H-1,2,4-Oxadiazin-3(4H)-one, dihydro-5-thioxo-?
You can request a quote for 2H-1,2,4-Oxadiazin-3(4H)-one, dihydro-5-thioxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,2,4-Oxadiazin-3(4H)-one, dihydro-5-thioxo-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,2,4-Oxadiazin-3(4H)-one, dihydro-5-thioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.