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 295.92786 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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
Technical Specifications
| Molecular Formula | C4H4N6O2S4 |
| Molecular Weight | 295.92786 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 204.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.92786 Da |
| Heavy Atoms | 16 |
| Complexity | 351.0 |
| SMILES | C1(=S)NC(=O)N(N1)SSN2C(=O)NC(=S)N2 |
| InChIKey | OAJIMNXJZLCVNG-UHFFFAOYSA-N |
Chemical Property Profile of 3-Bicarbamimide thione, 1,1'-dithio-
Property Insights of 3-Bicarbamimide thione, 1,1'-dithio-
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bicarbamimide thione, 1,1'-dithio-. The TPSA of 204.0 Ų indicates high polarity, suggesting 3-Bicarbamimide thione, 1,1'-dithio- may have limited membrane permeability but good aqueous solubility. 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
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 295.92786 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 CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Bicarbamimide thione, 1,1'-dithio-?
Yes, CoreyChem 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.