Ethyl 6-aminohexane(dithioate)
TL;DR: Ethyl 6-aminohexane(dithioate) (CAS 44981-95-5) is a chemical compound with molecular formula C8H17NS2 and molecular weight 191.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-aminohexanedithioate
Also Known As: ethyl 6-aminohexane(dithioate), ethyl 6-aminohexanedithioate, 6-amino-1-ethylsulfanyl-hexane-1-thione
| Molecular Formula | C8H17NS2 |
|---|---|
| Molecular Weight | 191.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 83.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 191.08025 |
| Heavy Atoms | 11 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 44981-95-5 |
|---|---|
| SMILES | CCSC(=S)CCCCCN |
| InChIKey | XMUFQZCYWIJBCT-UHFFFAOYSA-N |
Product Overview
Ethyl 6-aminohexane(dithioate) (CAS 44981-95-5), with molecular formula C8H17NS2 and molecular weight 191.08 g/mol. IUPAC: ethyl 6-aminohexanedithioate.
Chemical Property Profile of Ethyl 6-aminohexane(dithioate)
Property Insights of Ethyl 6-aminohexane(dithioate)
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-aminohexane(dithioate). The TPSA of 83.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 6-aminohexane(dithioate). Following Lipinski's Rule of Five, Ethyl 6-aminohexane(dithioate) has 1 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 Ethyl 6-aminohexane(dithioate)?
The CAS number of Ethyl 6-aminohexane(dithioate) is 44981-95-5.
What is the molecular formula of Ethyl 6-aminohexane(dithioate)?
The molecular formula of Ethyl 6-aminohexane(dithioate) is C8H17NS2.
What is the molecular weight of Ethyl 6-aminohexane(dithioate)?
The molecular weight of Ethyl 6-aminohexane(dithioate) is 191.08 g/mol.
Where can I buy Ethyl 6-aminohexane(dithioate)?
You can request a quote for Ethyl 6-aminohexane(dithioate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-aminohexane(dithioate)?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-aminohexane(dithioate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.