2-(7-Carbamimidoylsulfanyl-heptyl)-isothiourea
TL;DR: 2-(7-Carbamimidoylsulfanyl-heptyl)-isothiourea (CAS 106936-63-4) is a chemical compound with molecular formula C9H20N4S2 and molecular weight 248.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-carbamimidoylsulfanylheptyl carbamimidothioate
Also Known As: 1,7-bis-carbamimidoylmercapto-heptane, 1,1 -(Heptamethylenebisthio)bisformamidine, 2-(7-Carbamimidoylsulfanyl-heptyl)-isothiourea, 7-carbamimidoylsulfanylheptyl carbamimidothioate, {[7-(carbamimidoylsulfanyl)heptyl]sulfanyl}methanimidamide
| Molecular Formula | C9H20N4S2 |
|---|---|
| Molecular Weight | 248.11 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 248.11295 |
| Heavy Atoms | 15 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 106936-63-4 |
|---|---|
| SMILES | C(CCCSC(=N)N)CCCSC(=N)N |
| InChIKey | UZHUIDBEDCHVGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(7-Carbamimidoylsulfanyl-heptyl)-isothiourea (CAS 106936-63-4), with molecular formula C9H20N4S2 and molecular weight 248.11 g/mol. IUPAC: 7-carbamimidoylsulfanylheptyl carbamimidothioate.
Chemical Property Profile of 2-(7-Carbamimidoylsulfanyl-heptyl)-isothiourea
Property Insights of 2-(7-Carbamimidoylsulfanyl-heptyl)-isothiourea
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(7-Carbamimidoylsulfanyl-heptyl)-isothiourea. The TPSA of 150.0 Ų indicates high polarity, suggesting 2-(7-Carbamimidoylsulfanyl-heptyl)-isothiourea may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(7-Carbamimidoylsulfanyl-heptyl)-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-(7-Carbamimidoylsulfanyl-heptyl)-isothiourea?
The CAS number of 2-(7-Carbamimidoylsulfanyl-heptyl)-isothiourea is 106936-63-4.
What is the molecular formula of 2-(7-Carbamimidoylsulfanyl-heptyl)-isothiourea?
The molecular formula of 2-(7-Carbamimidoylsulfanyl-heptyl)-isothiourea is C9H20N4S2.
What is the molecular weight of 2-(7-Carbamimidoylsulfanyl-heptyl)-isothiourea?
The molecular weight of 2-(7-Carbamimidoylsulfanyl-heptyl)-isothiourea is 248.11 g/mol.
Where can I buy 2-(7-Carbamimidoylsulfanyl-heptyl)-isothiourea?
You can request a quote for 2-(7-Carbamimidoylsulfanyl-heptyl)-isothiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(7-Carbamimidoylsulfanyl-heptyl)-isothiourea?
Yes, KEHONG BIO provides custom synthesis services for 2-(7-Carbamimidoylsulfanyl-heptyl)-isothiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.