Dodecane-1,12-diyl dicarbamimidothioate--hydrogen bromide (1/2)
TL;DR: Dodecane-1,12-diyl dicarbamimidothioate--hydrogen bromide (1/2) (CAS 52841-43-7) is a chemical compound with molecular formula C14H32Br2N4S2 and molecular weight 478.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-carbamimidoylsulfanyldodecyl carbamimidothioate;dihydrobromide
Also Known As: Dodecane diisothiourea dihydrobromide, Pseudourea, dodecanebis(2'-thio-, dihydrobromide, dodecane-1,12-diyl dicarbamimidothioate dihydrobromide, Dodecane-1,12-diyl dicarbamimidothioate--hydrogen bromide (1/2), 12-carbamimidoylsulfanyldodecyl carbamimidothioate dihydrobromide
| Molecular Formula | C14H32Br2N4S2 |
|---|---|
| Molecular Weight | 478.04 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 480.04147 |
| Heavy Atoms | 22 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 52841-43-7 |
|---|---|
| SMILES | C(CCCCCCSC(=N)N)CCCCCSC(=N)N.Br.Br |
| InChIKey | HEURGAVWBXNVGC-UHFFFAOYSA-N |
Product Overview
Dodecane-1,12-diyl dicarbamimidothioate--hydrogen bromide (1/2) (CAS 52841-43-7), with molecular formula C14H32Br2N4S2 and molecular weight 478.04 g/mol. IUPAC: 12-carbamimidoylsulfanyldodecyl carbamimidothioate;dihydrobromide.
Chemical Property Profile of Dodecane-1,12-diyl dicarbamimidothioate--hydrogen bromide (1/2)
Property Insights of Dodecane-1,12-diyl dicarbamimidothioate--hydrogen bromide (1/2)
The XLogP value of 5.3 indicates that Dodecane-1,12-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 Dodecane-1,12-diyl dicarbamimidothioate--hydrogen bromide (1/2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dodecane-1,12-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 Dodecane-1,12-diyl dicarbamimidothioate--hydrogen bromide (1/2)?
The CAS number of Dodecane-1,12-diyl dicarbamimidothioate--hydrogen bromide (1/2) is 52841-43-7.
What is the molecular formula of Dodecane-1,12-diyl dicarbamimidothioate--hydrogen bromide (1/2)?
The molecular formula of Dodecane-1,12-diyl dicarbamimidothioate--hydrogen bromide (1/2) is C14H32Br2N4S2.
What is the molecular weight of Dodecane-1,12-diyl dicarbamimidothioate--hydrogen bromide (1/2)?
The molecular weight of Dodecane-1,12-diyl dicarbamimidothioate--hydrogen bromide (1/2) is 478.04 g/mol.
Where can I buy Dodecane-1,12-diyl dicarbamimidothioate--hydrogen bromide (1/2)?
You can request a quote for Dodecane-1,12-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 Dodecane-1,12-diyl dicarbamimidothioate--hydrogen bromide (1/2)?
Yes, KEHONG BIO provides custom synthesis services for Dodecane-1,12-diyl dicarbamimidothioate--hydrogen bromide (1/2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.