S-(2-Aminopentyl)isothiourea
TL;DR: S-(2-Aminopentyl)isothiourea (CAS 77044-77-0) is a chemical compound with molecular formula C6H15N3S and molecular weight 161.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-aminopentyl carbamimidothioate
Also Known As: S-2-Apentt, 2-aminopentyl carbamimidothioate, S-(2-Aminopentyl)isothiourea, Carbamimidothioic acid, 2-aminopentyl ester, Carbamimidothioic acid,2-aminopentyl ester
| Molecular Formula | C6H15N3S |
|---|---|
| Molecular Weight | 161.10 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 161.09866 |
| Heavy Atoms | 10 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 77044-77-0 |
|---|---|
| SMILES | CCCC(CSC(=N)N)N |
| InChIKey | JTZLKGJAGPHSAE-UHFFFAOYSA-N |
Product Overview
S-(2-Aminopentyl)isothiourea (CAS 77044-77-0), with molecular formula C6H15N3S and molecular weight 161.10 g/mol. IUPAC: 2-aminopentyl carbamimidothioate.
Chemical Property Profile of S-(2-Aminopentyl)isothiourea
Property Insights of S-(2-Aminopentyl)isothiourea
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(2-Aminopentyl)isothiourea. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(2-Aminopentyl)isothiourea. Following Lipinski's Rule of Five, S-(2-Aminopentyl)isothiourea has 3 hydrogen bond donor(s) and 3 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 S-(2-Aminopentyl)isothiourea?
The CAS number of S-(2-Aminopentyl)isothiourea is 77044-77-0.
What is the molecular formula of S-(2-Aminopentyl)isothiourea?
The molecular formula of S-(2-Aminopentyl)isothiourea is C6H15N3S.
What is the molecular weight of S-(2-Aminopentyl)isothiourea?
The molecular weight of S-(2-Aminopentyl)isothiourea is 161.10 g/mol.
Where can I buy S-(2-Aminopentyl)isothiourea?
You can request a quote for S-(2-Aminopentyl)isothiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2-Aminopentyl)isothiourea?
Yes, KEHONG BIO provides custom synthesis services for S-(2-Aminopentyl)isothiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.