Hexane-1,6-diyl dicarbamimidothioate
TL;DR: Hexane-1,6-diyl dicarbamimidothioate (CAS 58479-97-3) is a chemical compound with molecular formula C8H18N4S2 and molecular weight 234.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-carbamimidoylsulfanylhexyl carbamimidothioate
Also Known As: hexane-1,6-diyl dicarbamimidothioate, Urea, 1,1'-hexamethylenebis(2-thio-, 1,6-bis-carbamimidoylmercapto-hexane, Carbamimidothioic acid, 1,6-hexanediyl ester, 2,2 -(1,6-Hexanediyl)bis(isothiourea)
| Molecular Formula | C8H18N4S2 |
|---|---|
| Molecular Weight | 234.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 234.09729 |
| Heavy Atoms | 14 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 58479-97-3 |
|---|---|
| SMILES | C(CCCSC(=N)N)CCSC(=N)N |
| InChIKey | DYGQVQHELWCVGV-UHFFFAOYSA-N |
Product Overview
Hexane-1,6-diyl dicarbamimidothioate (CAS 58479-97-3), with molecular formula C8H18N4S2 and molecular weight 234.10 g/mol. IUPAC: 6-carbamimidoylsulfanylhexyl carbamimidothioate.
Chemical Property Profile of Hexane-1,6-diyl dicarbamimidothioate
Property Insights of Hexane-1,6-diyl dicarbamimidothioate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexane-1,6-diyl dicarbamimidothioate. The TPSA of 150.0 Ų indicates high polarity, suggesting Hexane-1,6-diyl dicarbamimidothioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hexane-1,6-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 Hexane-1,6-diyl dicarbamimidothioate?
The CAS number of Hexane-1,6-diyl dicarbamimidothioate is 58479-97-3.
What is the molecular formula of Hexane-1,6-diyl dicarbamimidothioate?
The molecular formula of Hexane-1,6-diyl dicarbamimidothioate is C8H18N4S2.
What is the molecular weight of Hexane-1,6-diyl dicarbamimidothioate?
The molecular weight of Hexane-1,6-diyl dicarbamimidothioate is 234.10 g/mol.
Where can I buy Hexane-1,6-diyl dicarbamimidothioate?
You can request a quote for Hexane-1,6-diyl dicarbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexane-1,6-diyl dicarbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for Hexane-1,6-diyl dicarbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.