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{[5-(Carbamimidoylsulfanyl)pentyl]sulfanyl}methanimidamide
TL;DR: {[5-(Carbamimidoylsulfanyl)pentyl]sulfanyl}methanimidamide (CAS 2986-38-1) is a chemical compound with molecular formula C7H16N4S2 and molecular weight 220.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-carbamimidoylsulfanylpentyl carbamimidothioate
Also Known As: 1,5-bis-carbamimidoylmercapto-pentane, pentane-1,5-diyl dicarbamimidothioate, Pentamethylene isothiourea dihydrobromide, J2.844.055C, 2-(5-Carbamimidoylsulfanyl-pentyl)-isothiourea
| Molecular Formula | C7H16N4S2 |
|---|---|
| Molecular Weight | 220.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 220.08163 |
| Heavy Atoms | 13 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 2986-38-1 |
|---|---|
| SMILES | C(CCSC(=N)N)CCSC(=N)N |
| InChIKey | XLBLCLRBVDWBFV-UHFFFAOYSA-N |
Product Overview
{[5-(Carbamimidoylsulfanyl)pentyl]sulfanyl}methanimidamide (CAS 2986-38-1), with molecular formula C7H16N4S2 and molecular weight 220.08 g/mol. IUPAC: 5-carbamimidoylsulfanylpentyl carbamimidothioate.
Chemical Property Profile of {[5-(Carbamimidoylsulfanyl)pentyl]sulfanyl}methanimidamide
Property Insights of {[5-(Carbamimidoylsulfanyl)pentyl]sulfanyl}methanimidamide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {[5-(Carbamimidoylsulfanyl)pentyl]sulfanyl}methanimidamide. The TPSA of 150.0 Ų indicates high polarity, suggesting {[5-(Carbamimidoylsulfanyl)pentyl]sulfanyl}methanimidamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, {[5-(Carbamimidoylsulfanyl)pentyl]sulfanyl}methanimidamide 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 {[5-(Carbamimidoylsulfanyl)pentyl]sulfanyl}methanimidamide?
The CAS number of {[5-(Carbamimidoylsulfanyl)pentyl]sulfanyl}methanimidamide is 2986-38-1.
What is the molecular formula of {[5-(Carbamimidoylsulfanyl)pentyl]sulfanyl}methanimidamide?
The molecular formula of {[5-(Carbamimidoylsulfanyl)pentyl]sulfanyl}methanimidamide is C7H16N4S2.
What is the molecular weight of {[5-(Carbamimidoylsulfanyl)pentyl]sulfanyl}methanimidamide?
The molecular weight of {[5-(Carbamimidoylsulfanyl)pentyl]sulfanyl}methanimidamide is 220.08 g/mol.
Where can I buy {[5-(Carbamimidoylsulfanyl)pentyl]sulfanyl}methanimidamide?
You can request a quote for {[5-(Carbamimidoylsulfanyl)pentyl]sulfanyl}methanimidamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {[5-(Carbamimidoylsulfanyl)pentyl]sulfanyl}methanimidamide?
Yes, KEHONG BIO provides custom synthesis services for {[5-(Carbamimidoylsulfanyl)pentyl]sulfanyl}methanimidamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.