3,3'-(亚乙基二硫代)二丙腈
TL;DR: 3,3'-(亚乙基二硫代)二丙腈 (CAS 86180-54-3) is a chemical compound with molecular formula C8H12N2S2 and molecular weight 200.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3'-(亚乙基二硫代)二丙腈
3-[2-(2-cyanoethylsulfanyl)ethylsulfanyl]propanenitrile
Also Known As: 1,2-Bis(2-cyanoethylthio)ethane, 3,3'-(Ethylenedithio)dipropionitrile, 3,3-(Ethylenedithio)dipropionitrile, 4,7-Dithiadecanedinitrile, 1,2-BIS ETHANE
| Molecular Formula | C8H12N2S2 |
|---|---|
| Molecular Weight | 200.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 98.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 200.04419 |
| Heavy Atoms | 12 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 86180-54-3 |
|---|---|
| SMILES | C(CSCCSCCC#N)C#N |
| InChIKey | SJYFOHJCZZEPNC-UHFFFAOYSA-N |
Product Overview
3,3'-(亚乙基二硫代)二丙腈 (CAS 86180-54-3), with molecular formula C8H12N2S2 and molecular weight 200.04 g/mol. IUPAC: 3-[2-(2-cyanoethylsulfanyl)ethylsulfanyl]propanenitrile.
Chemical Property Profile of 3,3'-(亚乙基二硫代)二丙腈
Property Insights of 3,3'-(亚乙基二硫代)二丙腈
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-(亚乙基二硫代)二丙腈. The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-(亚乙基二硫代)二丙腈. Following Lipinski's Rule of Five, 3,3'-(亚乙基二硫代)二丙腈 has 0 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 3,3'-(亚乙基二硫代)二丙腈?
The CAS number of 3,3'-(亚乙基二硫代)二丙腈 is 86180-54-3.
What is the molecular formula of 3,3'-(亚乙基二硫代)二丙腈?
The molecular formula of 3,3'-(亚乙基二硫代)二丙腈 is C8H12N2S2.
What is the molecular weight of 3,3'-(亚乙基二硫代)二丙腈?
The molecular weight of 3,3'-(亚乙基二硫代)二丙腈 is 200.04 g/mol.
Where can I buy 3,3'-(亚乙基二硫代)二丙腈?
You can request a quote for 3,3'-(亚乙基二硫代)二丙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-(亚乙基二硫代)二丙腈?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-(亚乙基二硫代)二丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.