4,5-Bis(2-cyanoethylthio)-1,3-dithiole-2-thione
TL;DR: 4,5-Bis(2-cyanoethylthio)-1,3-dithiole-2-thione (CAS 132765-86-7) is a chemical compound with molecular formula C9H8N2S5 and molecular weight 303.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[5-(2-cyanoethylsulfanyl)-2-sulfanylidene-1,3-dithiol-4-yl]sulfanyl]propanenitrile
Also Known As: 4,5-Bis(2-cyanoethylthio)-1,3-dithiole-2-thione, FRAISIONETHYLETHER, 4,5-BIS(2-CYANOETHYLTHIO)-1,3-DITHIOL-2-THIONE, ChemDiv1_019558, RARECHEM AR PA 0055
| Molecular Formula | C9H8N2S5 |
|---|---|
| Molecular Weight | 303.93 g/mol |
| LogP | 4.55065 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 303.9291 |
| Heavy Atoms | 16 |
| Complexity | 420.9695 |
Chemical Identifiers
| CAS Number | 132765-86-7 |
|---|---|
| SMILES | C(CSC1=C(SC(=S)S1)SCCC#N)C#N |
Product Overview
4,5-Bis(2-cyanoethylthio)-1,3-dithiole-2-thione (CAS 132765-86-7), with molecular formula C9H8N2S5 and molecular weight 303.93 g/mol. IUPAC: 3-[[5-(2-cyanoethylsulfanyl)-2-sulfanylidene-1,3-dithiol-4-yl]sulfanyl]propanenitrile.
Chemical Property Profile of 4,5-Bis(2-cyanoethylthio)-1,3-dithiole-2-thione
Property Insights of 4,5-Bis(2-cyanoethylthio)-1,3-dithiole-2-thione
The XLogP value of 4.55065 indicates that 4,5-Bis(2-cyanoethylthio)-1,3-dithiole-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.58 Ų, 4,5-Bis(2-cyanoethylthio)-1,3-dithiole-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Bis(2-cyanoethylthio)-1,3-dithiole-2-thione has 0 hydrogen bond donor(s) and 7 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 4,5-Bis(2-cyanoethylthio)-1,3-dithiole-2-thione?
The CAS number of 4,5-Bis(2-cyanoethylthio)-1,3-dithiole-2-thione is 132765-86-7.
What is the molecular formula of 4,5-Bis(2-cyanoethylthio)-1,3-dithiole-2-thione?
The molecular formula of 4,5-Bis(2-cyanoethylthio)-1,3-dithiole-2-thione is C9H8N2S5.
What is the molecular weight of 4,5-Bis(2-cyanoethylthio)-1,3-dithiole-2-thione?
The molecular weight of 4,5-Bis(2-cyanoethylthio)-1,3-dithiole-2-thione is 303.93 g/mol.
Where can I buy 4,5-Bis(2-cyanoethylthio)-1,3-dithiole-2-thione?
You can request a quote for 4,5-Bis(2-cyanoethylthio)-1,3-dithiole-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Bis(2-cyanoethylthio)-1,3-dithiole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Bis(2-cyanoethylthio)-1,3-dithiole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.