2-(4-Carbamimidoylsulfanyl-butyl)-isothiourea
TL;DR: 2-(4-Carbamimidoylsulfanyl-butyl)-isothiourea (CAS 2986-37-0) is a chemical compound with molecular formula C6H14N4S2 and molecular weight 206.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-carbamimidoylsulfanylbutyl carbamimidothioate
Also Known As: 1,4-bis-carbamimidoylmercapto-butane, butane-1,4-diyl dicarbamimidothioate, 2,2 -Tetramethylenebis(isothiourea), Butylene-1,4-bisisothiourea dihydrobromide, 1,1 -(Tetramethylenebisthio)bisformamidine
| Molecular Formula | C6H14N4S2 |
|---|---|
| Molecular Weight | 206.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 206.066 |
| Heavy Atoms | 12 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 2986-37-0 |
|---|---|
| SMILES | C(CCSC(=N)N)CSC(=N)N |
| InChIKey | PTMXPRBEWOQFQC-UHFFFAOYSA-N |
Product Overview
2-(4-Carbamimidoylsulfanyl-butyl)-isothiourea (CAS 2986-37-0), with molecular formula C6H14N4S2 and molecular weight 206.07 g/mol. IUPAC: 4-carbamimidoylsulfanylbutyl carbamimidothioate.
Chemical Property Profile of 2-(4-Carbamimidoylsulfanyl-butyl)-isothiourea
Property Insights of 2-(4-Carbamimidoylsulfanyl-butyl)-isothiourea
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Carbamimidoylsulfanyl-butyl)-isothiourea. The TPSA of 150.0 Ų indicates high polarity, suggesting 2-(4-Carbamimidoylsulfanyl-butyl)-isothiourea may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(4-Carbamimidoylsulfanyl-butyl)-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-(4-Carbamimidoylsulfanyl-butyl)-isothiourea?
The CAS number of 2-(4-Carbamimidoylsulfanyl-butyl)-isothiourea is 2986-37-0.
What is the molecular formula of 2-(4-Carbamimidoylsulfanyl-butyl)-isothiourea?
The molecular formula of 2-(4-Carbamimidoylsulfanyl-butyl)-isothiourea is C6H14N4S2.
What is the molecular weight of 2-(4-Carbamimidoylsulfanyl-butyl)-isothiourea?
The molecular weight of 2-(4-Carbamimidoylsulfanyl-butyl)-isothiourea is 206.07 g/mol.
Where can I buy 2-(4-Carbamimidoylsulfanyl-butyl)-isothiourea?
You can request a quote for 2-(4-Carbamimidoylsulfanyl-butyl)-isothiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Carbamimidoylsulfanyl-butyl)-isothiourea?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Carbamimidoylsulfanyl-butyl)-isothiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.