But-2-yne-1,4-diyl dicarbamimidothioate--hydrogen chloride (1/2)
TL;DR: But-2-yne-1,4-diyl dicarbamimidothioate--hydrogen chloride (1/2) (CAS 63680-28-4) is a chemical compound with molecular formula C6H12Cl2N4S2 and molecular weight 273.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-carbamimidoylsulfanylbut-2-ynyl carbamimidothioate;dihydrochloride
Also Known As: Pseudourea, 2,2'-(2-butynylene)dithiodi-, dihydrochloride, but-2-yne-1,4-diyl dicarbamimidothioate dihydrochloride, 2,2'-(2-Butynylene)bis(2-thiopseudourea), dihydrochloride, 4-carbamimidoylsulfanylbut-2-ynyl carbamimidothioate;dihydrochloride, Pseudourea, 2,2'-(2-butynylene)bis(2-thio-, dihydrochloride
| Molecular Formula | C6H12Cl2N4S2 |
|---|---|
| Molecular Weight | 273.99 g/mol |
| LogP | 1.09 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.98804 |
| Heavy Atoms | 14 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 63680-28-4 |
|---|---|
| SMILES | C(C#CCSC(=N)N)SC(=N)N.Cl.Cl |
| InChIKey | YSQHMFQEZSXFHD-UHFFFAOYSA-N |
Product Overview
But-2-yne-1,4-diyl dicarbamimidothioate--hydrogen chloride (1/2) (CAS 63680-28-4), with molecular formula C6H12Cl2N4S2 and molecular weight 273.99 g/mol. IUPAC: 4-carbamimidoylsulfanylbut-2-ynyl carbamimidothioate;dihydrochloride.
Chemical Property Profile of But-2-yne-1,4-diyl dicarbamimidothioate--hydrogen chloride (1/2)
Property Insights of But-2-yne-1,4-diyl dicarbamimidothioate--hydrogen chloride (1/2)
The XLogP value of 1.09 suggests moderate lipophilicity, balancing water solubility and membrane permeability for But-2-yne-1,4-diyl dicarbamimidothioate--hydrogen chloride (1/2). The TPSA of 150.0 Ų indicates high polarity, suggesting But-2-yne-1,4-diyl dicarbamimidothioate--hydrogen chloride (1/2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, But-2-yne-1,4-diyl dicarbamimidothioate--hydrogen chloride (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 But-2-yne-1,4-diyl dicarbamimidothioate--hydrogen chloride (1/2)?
The CAS number of But-2-yne-1,4-diyl dicarbamimidothioate--hydrogen chloride (1/2) is 63680-28-4.
What is the molecular formula of But-2-yne-1,4-diyl dicarbamimidothioate--hydrogen chloride (1/2)?
The molecular formula of But-2-yne-1,4-diyl dicarbamimidothioate--hydrogen chloride (1/2) is C6H12Cl2N4S2.
What is the molecular weight of But-2-yne-1,4-diyl dicarbamimidothioate--hydrogen chloride (1/2)?
The molecular weight of But-2-yne-1,4-diyl dicarbamimidothioate--hydrogen chloride (1/2) is 273.99 g/mol.
Where can I buy But-2-yne-1,4-diyl dicarbamimidothioate--hydrogen chloride (1/2)?
You can request a quote for But-2-yne-1,4-diyl dicarbamimidothioate--hydrogen chloride (1/2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for But-2-yne-1,4-diyl dicarbamimidothioate--hydrogen chloride (1/2)?
Yes, KEHONG BIO provides custom synthesis services for But-2-yne-1,4-diyl dicarbamimidothioate--hydrogen chloride (1/2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.