Carbamimidothioic acid, C,C'-2,3-quinoxalinediyl ester, hydrochloride (1:2)
TL;DR: Carbamimidothioic acid, C,C'-2,3-quinoxalinediyl ester, hydrochloride (1:2) (CAS 63549-18-8) is a chemical compound with molecular formula C10H12Cl2N6S2 and molecular weight 349.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-carbamimidoylsulfanylquinoxalin-2-yl) carbamimidothioate;dihydrochloride
Also Known As: Carbamimidothioic acid, 2,3-quinoxalinediyl ester, dihydrochloride, 2,2'-Quinoxaline-2,3-diylbisisothiourea dihydrochloride, quinoxaline-2,3-diyl dicarbamimidothioate dihydrochloride, Carbamimidothioic acid, C,C'-2,3-quinoxalinediyl ester, hydrochloride (1:2), Quinoxaline-2,3-diyl dicarbamimidothioate--hydrogen chloride (1/2)
| Molecular Formula | C10H12Cl2N6S2 |
|---|---|
| Molecular Weight | 349.99 g/mol |
| LogP | 2.44 |
| Topological Polar Surface Area | 176.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.9942 |
| Heavy Atoms | 20 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 63549-18-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(C(=N2)SC(=N)N)SC(=N)N.Cl.Cl |
| InChIKey | NRHZJRFFVZODFZ-UHFFFAOYSA-N |
Product Overview
Carbamimidothioic acid, C,C'-2,3-quinoxalinediyl ester, hydrochloride (1:2) (CAS 63549-18-8), with molecular formula C10H12Cl2N6S2 and molecular weight 349.99 g/mol. IUPAC: (3-carbamimidoylsulfanylquinoxalin-2-yl) carbamimidothioate;dihydrochloride.
Chemical Property Profile of Carbamimidothioic acid, C,C'-2,3-quinoxalinediyl ester, hydrochloride (1:2)
Property Insights of Carbamimidothioic acid, C,C'-2,3-quinoxalinediyl ester, hydrochloride (1:2)
The XLogP value of 2.44 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamimidothioic acid, C,C'-2,3-quinoxalinediyl ester, hydrochloride (1:2). The TPSA of 176.0 Ų indicates high polarity, suggesting Carbamimidothioic acid, C,C'-2,3-quinoxalinediyl ester, hydrochloride (1:2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Carbamimidothioic acid, C,C'-2,3-quinoxalinediyl ester, hydrochloride (1:2) has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbamimidothioic acid, C,C'-2,3-quinoxalinediyl ester, hydrochloride (1:2)?
The CAS number of Carbamimidothioic acid, C,C'-2,3-quinoxalinediyl ester, hydrochloride (1:2) is 63549-18-8.
What is the molecular formula of Carbamimidothioic acid, C,C'-2,3-quinoxalinediyl ester, hydrochloride (1:2)?
The molecular formula of Carbamimidothioic acid, C,C'-2,3-quinoxalinediyl ester, hydrochloride (1:2) is C10H12Cl2N6S2.
What is the molecular weight of Carbamimidothioic acid, C,C'-2,3-quinoxalinediyl ester, hydrochloride (1:2)?
The molecular weight of Carbamimidothioic acid, C,C'-2,3-quinoxalinediyl ester, hydrochloride (1:2) is 349.99 g/mol.
Where can I buy Carbamimidothioic acid, C,C'-2,3-quinoxalinediyl ester, hydrochloride (1:2)?
You can request a quote for Carbamimidothioic acid, C,C'-2,3-quinoxalinediyl ester, hydrochloride (1:2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamimidothioic acid, C,C'-2,3-quinoxalinediyl ester, hydrochloride (1:2)?
Yes, KEHONG BIO provides custom synthesis services for Carbamimidothioic acid, C,C'-2,3-quinoxalinediyl ester, hydrochloride (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.