Ethane-1,2-diyl dicarbamimidothioate
TL;DR: Ethane-1,2-diyl dicarbamimidothioate (CAS 2986-35-8) is a chemical compound with molecular formula C4H10N4S2 and molecular weight 178.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-carbamimidoylsulfanylethyl carbamimidothioate
Also Known As: Mesna Impurity 10, ethane-1,2-diyl dicarbamimidothioate, NCIStruc1_000410, NCIStruc2_000523, 1,2-Bis(amidinothio)ethane
| Molecular Formula | C4H10N4S2 |
|---|---|
| Molecular Weight | 178.03 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 178.03468 |
| Heavy Atoms | 10 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 2986-35-8 |
|---|---|
| SMILES | C(CSC(=N)N)SC(=N)N |
| InChIKey | SWXOUTZSPTXSOB-UHFFFAOYSA-N |
Product Overview
Ethane-1,2-diyl dicarbamimidothioate (CAS 2986-35-8), with molecular formula C4H10N4S2 and molecular weight 178.03 g/mol. IUPAC: 2-carbamimidoylsulfanylethyl carbamimidothioate.
Chemical Property Profile of Ethane-1,2-diyl dicarbamimidothioate
Property Insights of Ethane-1,2-diyl dicarbamimidothioate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethane-1,2-diyl dicarbamimidothioate. The TPSA of 150.0 Ų indicates high polarity, suggesting Ethane-1,2-diyl dicarbamimidothioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethane-1,2-diyl dicarbamimidothioate has 4 hydrogen bond donor(s) and 4 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 Ethane-1,2-diyl dicarbamimidothioate?
The CAS number of Ethane-1,2-diyl dicarbamimidothioate is 2986-35-8.
What is the molecular formula of Ethane-1,2-diyl dicarbamimidothioate?
The molecular formula of Ethane-1,2-diyl dicarbamimidothioate is C4H10N4S2.
What is the molecular weight of Ethane-1,2-diyl dicarbamimidothioate?
The molecular weight of Ethane-1,2-diyl dicarbamimidothioate is 178.03 g/mol.
Where can I buy Ethane-1,2-diyl dicarbamimidothioate?
You can request a quote for Ethane-1,2-diyl dicarbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethane-1,2-diyl dicarbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for Ethane-1,2-diyl dicarbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.