Hexane-1,6-diyl dicarbamimidothioate--hydrogen bromide (1/2)
TL;DR: Hexane-1,6-diyl dicarbamimidothioate--hydrogen bromide (1/2) (CAS 64058-53-3) is a chemical compound with molecular formula C8H20Br2N4S2 and molecular weight 393.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-carbamimidoylsulfanylhexyl carbamimidothioate;dihydrobromide
Also Known As: Hexane diisothiourea dihydrobromide, Hexadecane diisothiourea dihydrobromide, 2,2'-Hexamethylenebisisothiouronium dibromide, Pseudourea, hexanebis(2'-thio-, dihydrobromide, Pseudourea, hexadecanebis(2'-thio-, dihydrobromide
| Molecular Formula | C8H20Br2N4S2 |
|---|---|
| Molecular Weight | 393.95 g/mol |
| LogP | 2.96 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 395.94757 |
| Heavy Atoms | 16 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 64058-53-3 |
|---|---|
| SMILES | C(CCCSC(=N)N)CCSC(=N)N.Br.Br |
| InChIKey | MSJHBLBWGQLLAK-UHFFFAOYSA-N |
Product Overview
Hexane-1,6-diyl dicarbamimidothioate--hydrogen bromide (1/2) (CAS 64058-53-3), with molecular formula C8H20Br2N4S2 and molecular weight 393.95 g/mol. IUPAC: 6-carbamimidoylsulfanylhexyl carbamimidothioate;dihydrobromide.
Chemical Property Profile of Hexane-1,6-diyl dicarbamimidothioate--hydrogen bromide (1/2)
Property Insights of Hexane-1,6-diyl dicarbamimidothioate--hydrogen bromide (1/2)
The XLogP value of 2.96 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexane-1,6-diyl dicarbamimidothioate--hydrogen bromide (1/2). The TPSA of 150.0 Ų indicates high polarity, suggesting Hexane-1,6-diyl dicarbamimidothioate--hydrogen bromide (1/2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hexane-1,6-diyl dicarbamimidothioate--hydrogen bromide (1/2) has 6 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexane-1,6-diyl dicarbamimidothioate--hydrogen bromide (1/2)?
The CAS number of Hexane-1,6-diyl dicarbamimidothioate--hydrogen bromide (1/2) is 64058-53-3.
What is the molecular formula of Hexane-1,6-diyl dicarbamimidothioate--hydrogen bromide (1/2)?
The molecular formula of Hexane-1,6-diyl dicarbamimidothioate--hydrogen bromide (1/2) is C8H20Br2N4S2.
What is the molecular weight of Hexane-1,6-diyl dicarbamimidothioate--hydrogen bromide (1/2)?
The molecular weight of Hexane-1,6-diyl dicarbamimidothioate--hydrogen bromide (1/2) is 393.95 g/mol.
Where can I buy Hexane-1,6-diyl dicarbamimidothioate--hydrogen bromide (1/2)?
You can request a quote for Hexane-1,6-diyl dicarbamimidothioate--hydrogen bromide (1/2) 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--hydrogen bromide (1/2)?
Yes, KEHONG BIO provides custom synthesis services for Hexane-1,6-diyl dicarbamimidothioate--hydrogen bromide (1/2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.