1,8-Diamine-3,6-dithiaoctane
TL;DR: 1,8-Diamine-3,6-dithiaoctane (CAS 21057-05-6) is a chemical compound with molecular formula C6H16N2S2 and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2-aminoethylsulfanyl)ethylsulfanyl]ethanamine
Also Known As: 1,2-bis(2-aminoethylthio)ethane, 1,8-Dto, 1,8-Diamine-3,6-dithiaoctane, 1,8-diamino-3,6-dithiaoctane, 1,8-diamino-3,6-dithiooctane
| Molecular Formula | C6H16N2S2 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 0.3702 |
| Topological Polar Surface Area | 52.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 180.07549 |
| Heavy Atoms | 10 |
| Complexity | 53.709507 |
Chemical Identifiers
| CAS Number | 21057-05-6 |
|---|---|
| SMILES | C(CSCCSCCN)N |
Product Overview
1,8-Diamine-3,6-dithiaoctane (CAS 21057-05-6), with molecular formula C6H16N2S2 and molecular weight 180.08 g/mol. IUPAC: 2-[2-(2-aminoethylsulfanyl)ethylsulfanyl]ethanamine.
Chemical Property Profile of 1,8-Diamine-3,6-dithiaoctane
Property Insights of 1,8-Diamine-3,6-dithiaoctane
The XLogP value of 0.3702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,8-Diamine-3,6-dithiaoctane. With a topological polar surface area (TPSA) of 52.04 Ų, 1,8-Diamine-3,6-dithiaoctane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,8-Diamine-3,6-dithiaoctane has 2 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 1,8-Diamine-3,6-dithiaoctane?
The CAS number of 1,8-Diamine-3,6-dithiaoctane is 21057-05-6.
What is the molecular formula of 1,8-Diamine-3,6-dithiaoctane?
The molecular formula of 1,8-Diamine-3,6-dithiaoctane is C6H16N2S2.
What is the molecular weight of 1,8-Diamine-3,6-dithiaoctane?
The molecular weight of 1,8-Diamine-3,6-dithiaoctane is 180.08 g/mol.
Where can I buy 1,8-Diamine-3,6-dithiaoctane?
You can request a quote for 1,8-Diamine-3,6-dithiaoctane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,8-Diamine-3,6-dithiaoctane?
Yes, KEHONG BIO provides custom synthesis services for 1,8-Diamine-3,6-dithiaoctane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.