Bis(methylthio)maleonitrile
TL;DR: Bis(methylthio)maleonitrile (CAS 7373-03-7) is a chemical compound with molecular formula C6H6N2S2 and molecular weight 170.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2,3-bis(methylsulfanyl)but-2-enedinitrile
Also Known As: Bis(methylthio)maleonitrile, bis-methylsulfanyl-fumaronitrile, Maleonitrile, bis(methylthio)-, bis-(methylmercapto)-fumaronitrile, bis(methylsulfanyl)but-2-enedinitrile
| Molecular Formula | C6H6N2S2 |
|---|---|
| Molecular Weight | 170.00 g/mol |
| LogP | 1.97116 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.99724 |
| Heavy Atoms | 10 |
| Complexity | 194.88277 |
Chemical Identifiers
| CAS Number | 7373-03-7 |
|---|---|
| SMILES | CS/C(=C(\C#N)/SC)/C#N |
Product Overview
Bis(methylthio)maleonitrile (CAS 7373-03-7), with molecular formula C6H6N2S2 and molecular weight 170.00 g/mol. IUPAC: (E)-2,3-bis(methylsulfanyl)but-2-enedinitrile.
Chemical Property Profile of Bis(methylthio)maleonitrile
Property Insights of Bis(methylthio)maleonitrile
The XLogP value of 1.97116 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(methylthio)maleonitrile. With a topological polar surface area (TPSA) of 47.58 Ų, Bis(methylthio)maleonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(methylthio)maleonitrile 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 Bis(methylthio)maleonitrile?
The CAS number of Bis(methylthio)maleonitrile is 7373-03-7.
What is the molecular formula of Bis(methylthio)maleonitrile?
The molecular formula of Bis(methylthio)maleonitrile is C6H6N2S2.
What is the molecular weight of Bis(methylthio)maleonitrile?
The molecular weight of Bis(methylthio)maleonitrile is 170.00 g/mol.
Where can I buy Bis(methylthio)maleonitrile?
You can request a quote for Bis(methylthio)maleonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(methylthio)maleonitrile?
Yes, KEHONG BIO provides custom synthesis services for Bis(methylthio)maleonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.