2-(8-Carbamimidoylsulfanyl-octyl)-isothiourea
TL;DR: 2-(8-Carbamimidoylsulfanyl-octyl)-isothiourea (CAS 52841-42-6) is a chemical compound with molecular formula C10H22N4S2 and molecular weight 262.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-carbamimidoylsulfanyloctyl carbamimidothioate
Also Known As: Carbamimidothioic acid, 1,8-octanediyl ester, 2-(8-Carbamimidoylsulfanyl-octyl)-isothiourea, 8-carbamimidoylsulfanyloctyl carbamimidothioate, Carbamimidothioic acid, 1,8-octanediyl ester (9CI)
| Molecular Formula | C10H22N4S2 |
|---|---|
| Molecular Weight | 262.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 262.1286 |
| Heavy Atoms | 16 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 52841-42-6 |
|---|---|
| SMILES | C(CCCCSC(=N)N)CCCSC(=N)N |
| InChIKey | BPVQUZSXLLFLFJ-UHFFFAOYSA-N |
Product Overview
2-(8-Carbamimidoylsulfanyl-octyl)-isothiourea (CAS 52841-42-6), with molecular formula C10H22N4S2 and molecular weight 262.13 g/mol. IUPAC: 8-carbamimidoylsulfanyloctyl carbamimidothioate.
Chemical Property Profile of 2-(8-Carbamimidoylsulfanyl-octyl)-isothiourea
Property Insights of 2-(8-Carbamimidoylsulfanyl-octyl)-isothiourea
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(8-Carbamimidoylsulfanyl-octyl)-isothiourea. The TPSA of 150.0 Ų indicates high polarity, suggesting 2-(8-Carbamimidoylsulfanyl-octyl)-isothiourea may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(8-Carbamimidoylsulfanyl-octyl)-isothiourea has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(8-Carbamimidoylsulfanyl-octyl)-isothiourea?
The CAS number of 2-(8-Carbamimidoylsulfanyl-octyl)-isothiourea is 52841-42-6.
What is the molecular formula of 2-(8-Carbamimidoylsulfanyl-octyl)-isothiourea?
The molecular formula of 2-(8-Carbamimidoylsulfanyl-octyl)-isothiourea is C10H22N4S2.
What is the molecular weight of 2-(8-Carbamimidoylsulfanyl-octyl)-isothiourea?
The molecular weight of 2-(8-Carbamimidoylsulfanyl-octyl)-isothiourea is 262.13 g/mol.
Where can I buy 2-(8-Carbamimidoylsulfanyl-octyl)-isothiourea?
You can request a quote for 2-(8-Carbamimidoylsulfanyl-octyl)-isothiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(8-Carbamimidoylsulfanyl-octyl)-isothiourea?
Yes, KEHONG BIO provides custom synthesis services for 2-(8-Carbamimidoylsulfanyl-octyl)-isothiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.