3-Bicarbamimide thione, 1,1'-dithio-
TL;DR: 3-Bicarbamimide thione, 1,1'-dithio- (CAS 101491-36-5) is a chemical compound with molecular formula C4H4N6O2S4 and molecular weight 295.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-oxo-3-sulfanylidene-1,2,4-triazolidin-1-yl)disulfanyl]-5-sulfanylidene-1,2,4-triazolidin-3-one
Also Known As: 1,1'-Dithio-3-bicarbamimide thione, 3-Bicarbamimide thione, 1,1'-dithio-, Bis(1,2,4-triazolidin-3-thion-5-on-1-yl)thione, 2,2'-Disulfanediylbis(5-sulfanylidene-1,2,4-triazolidin-3-one), 2-[(5-oxo-3-sulfanylidene-1,2,4-triazolidin-1-yl)disulfanyl]-5-sulfanylidene-1,2,4-triazolidin-3-one
| Molecular Formula | C4H4N6O2S4 |
|---|---|
| Molecular Weight | 295.93 g/mol |
| LogP | 0.38918 |
| Topological Polar Surface Area | 107.16 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.92786 |
| Heavy Atoms | 16 |
| Complexity | 647.69464 |
Chemical Identifiers
| CAS Number | 101491-36-5 |
|---|---|
| SMILES | C1(=S)NC(=O)N(N1)SSN2C(=O)NC(=S)N2 |
Product Overview
3-Bicarbamimide thione, 1,1'-dithio- (CAS 101491-36-5), with molecular formula C4H4N6O2S4 and molecular weight 295.93 g/mol. IUPAC: 2-[(5-oxo-3-sulfanylidene-1,2,4-triazolidin-1-yl)disulfanyl]-5-sulfanylidene-1,2,4-triazolidin-3-one.
Chemical Property Profile of 3-Bicarbamimide thione, 1,1'-dithio-
Property Insights of 3-Bicarbamimide thione, 1,1'-dithio-
The XLogP value of 0.38918 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bicarbamimide thione, 1,1'-dithio-. The TPSA of 107.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Bicarbamimide thione, 1,1'-dithio-. Following Lipinski's Rule of Five, 3-Bicarbamimide thione, 1,1'-dithio- has 4 hydrogen bond donor(s) and 6 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-Bicarbamimide thione, 1,1'-dithio-?
The CAS number of 3-Bicarbamimide thione, 1,1'-dithio- is 101491-36-5.
What is the molecular formula of 3-Bicarbamimide thione, 1,1'-dithio-?
The molecular formula of 3-Bicarbamimide thione, 1,1'-dithio- is C4H4N6O2S4.
What is the molecular weight of 3-Bicarbamimide thione, 1,1'-dithio-?
The molecular weight of 3-Bicarbamimide thione, 1,1'-dithio- is 295.93 g/mol.
Where can I buy 3-Bicarbamimide thione, 1,1'-dithio-?
You can request a quote for 3-Bicarbamimide thione, 1,1'-dithio- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bicarbamimide thione, 1,1'-dithio-?
Yes, KEHONG BIO provides custom synthesis services for 3-Bicarbamimide thione, 1,1'-dithio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.