![3-[(Aminothioxomethyl)amino]-2,5-dihydrothiophene-1,1-dione structure](/static/products/850/850158-21-3.png)
3-[(Aminothioxomethyl)amino]-2,5-dihydrothiophene-1,1-dione
TL;DR: 3-[(Aminothioxomethyl)amino]-2,5-dihydrothiophene-1,1-dione (CAS 850158-21-3) is a chemical compound with molecular formula C5H8N2O2S2 and molecular weight 192.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,1-dioxo-2,5-dihydrothiophen-3-yl)thiourea
Also Known As: (1,1-dioxo-2,5-dihydrothiophen-3-yl)thiourea, N-(1,1-dioxido-2,5-dihydro-3-thienyl)thiourea, (1,1-dioxo-2,5-dihydro-1??-thiophen-3-yl)thiourea, 3-[(aminothioxomethyl)amino]-2,5-dihydrothiophene-1,1-dione
| Molecular Formula | C5H8N2O2S2 |
|---|---|
| Molecular Weight | 192.00 g/mol |
| LogP | -0.8681 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.00272 |
| Heavy Atoms | 11 |
| Complexity | 304.44412 |
Chemical Identifiers
| CAS Number | 850158-21-3 |
|---|---|
| SMILES | C1C=C(CS1(=O)=O)NC(=S)N |
Product Overview
3-[(Aminothioxomethyl)amino]-2,5-dihydrothiophene-1,1-dione (CAS 850158-21-3), with molecular formula C5H8N2O2S2 and molecular weight 192.00 g/mol. IUPAC: (1,1-dioxo-2,5-dihydrothiophen-3-yl)thiourea.
Chemical Property Profile of 3-[(Aminothioxomethyl)amino]-2,5-dihydrothiophene-1,1-dione
Property Insights of 3-[(Aminothioxomethyl)amino]-2,5-dihydrothiophene-1,1-dione
The XLogP value of -0.8681 indicates that 3-[(Aminothioxomethyl)amino]-2,5-dihydrothiophene-1,1-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(Aminothioxomethyl)amino]-2,5-dihydrothiophene-1,1-dione. Following Lipinski's Rule of Five, 3-[(Aminothioxomethyl)amino]-2,5-dihydrothiophene-1,1-dione 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 3-[(Aminothioxomethyl)amino]-2,5-dihydrothiophene-1,1-dione?
The CAS number of 3-[(Aminothioxomethyl)amino]-2,5-dihydrothiophene-1,1-dione is 850158-21-3.
What is the molecular formula of 3-[(Aminothioxomethyl)amino]-2,5-dihydrothiophene-1,1-dione?
The molecular formula of 3-[(Aminothioxomethyl)amino]-2,5-dihydrothiophene-1,1-dione is C5H8N2O2S2.
What is the molecular weight of 3-[(Aminothioxomethyl)amino]-2,5-dihydrothiophene-1,1-dione?
The molecular weight of 3-[(Aminothioxomethyl)amino]-2,5-dihydrothiophene-1,1-dione is 192.00 g/mol.
Where can I buy 3-[(Aminothioxomethyl)amino]-2,5-dihydrothiophene-1,1-dione?
You can request a quote for 3-[(Aminothioxomethyl)amino]-2,5-dihydrothiophene-1,1-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(Aminothioxomethyl)amino]-2,5-dihydrothiophene-1,1-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Aminothioxomethyl)amino]-2,5-dihydrothiophene-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.