Decane-1,10-diyl dicarbamimidothioate--hydrogen bromide (1/2)
TL;DR: Decane-1,10-diyl dicarbamimidothioate--hydrogen bromide (1/2) (CAS 63680-30-8) is a chemical compound with molecular formula C12H28Br2N4S2 and molecular weight 450.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-carbamimidoylsulfanyldecyl carbamimidothioate;dihydrobromide
Also Known As: Decane-1,10-diisothiourea dihydrobromide, Pseudourea, 2,2'-decamethylenedithiodi-, dihydrobromide, decane-1,10-diyl dicarbamimidothioate dihydrobromide, Pseudourea, 2,2'-decamethylenebis(2-thio-, dihydrobromide, Decane-1,10-diyl dicarbamimidothioate--hydrogen bromide (1/2)
| Molecular Formula | C12H28Br2N4S2 |
|---|---|
| Molecular Weight | 450.01 g/mol |
| LogP | 4.52 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 452.01016 |
| Heavy Atoms | 20 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 63680-30-8 |
|---|---|
| SMILES | C(CCCCCSC(=N)N)CCCCSC(=N)N.Br.Br |
| InChIKey | UNJLGSPPIRXGOS-UHFFFAOYSA-N |
Product Overview
Decane-1,10-diyl dicarbamimidothioate--hydrogen bromide (1/2) (CAS 63680-30-8), with molecular formula C12H28Br2N4S2 and molecular weight 450.01 g/mol. IUPAC: 10-carbamimidoylsulfanyldecyl carbamimidothioate;dihydrobromide.
Chemical Property Profile of Decane-1,10-diyl dicarbamimidothioate--hydrogen bromide (1/2)
Property Insights of Decane-1,10-diyl dicarbamimidothioate--hydrogen bromide (1/2)
The XLogP value of 4.52 indicates that Decane-1,10-diyl dicarbamimidothioate--hydrogen bromide (1/2) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.0 Ų indicates high polarity, suggesting Decane-1,10-diyl dicarbamimidothioate--hydrogen bromide (1/2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Decane-1,10-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 Decane-1,10-diyl dicarbamimidothioate--hydrogen bromide (1/2)?
The CAS number of Decane-1,10-diyl dicarbamimidothioate--hydrogen bromide (1/2) is 63680-30-8.
What is the molecular formula of Decane-1,10-diyl dicarbamimidothioate--hydrogen bromide (1/2)?
The molecular formula of Decane-1,10-diyl dicarbamimidothioate--hydrogen bromide (1/2) is C12H28Br2N4S2.
What is the molecular weight of Decane-1,10-diyl dicarbamimidothioate--hydrogen bromide (1/2)?
The molecular weight of Decane-1,10-diyl dicarbamimidothioate--hydrogen bromide (1/2) is 450.01 g/mol.
Where can I buy Decane-1,10-diyl dicarbamimidothioate--hydrogen bromide (1/2)?
You can request a quote for Decane-1,10-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 Decane-1,10-diyl dicarbamimidothioate--hydrogen bromide (1/2)?
Yes, KEHONG BIO provides custom synthesis services for Decane-1,10-diyl dicarbamimidothioate--hydrogen bromide (1/2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.