(E)-2,3-Dimercapto-2-butenedinitrile
TL;DR: (E)-2,3-Dimercapto-2-butenedinitrile (CAS 20654-67-5) is a chemical compound with molecular formula C4H2N2S2 and molecular weight 141.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2,3-bis(sulfanyl)but-2-enedinitrile
Also Known As: dimercaptomaleonitrile, Maleonitriledithiolate, (E)-2,3-Dimercapto-2-butenedinitrile, 1,2-Dicyano-1,2-ethenedithiol, 1,2-Dicyanoethene-1,2-bisthiol
| Molecular Formula | C4H2N2S2 |
|---|---|
| Molecular Weight | 141.97 g/mol |
| LogP | 1.10476 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 141.96594 |
| Heavy Atoms | 8 |
| Complexity | 171.0643 |
Chemical Identifiers
| CAS Number | 20654-67-5 |
|---|---|
| SMILES | C(#N)/C(=C(/C#N)\S)/S |
Product Overview
(E)-2,3-Dimercapto-2-butenedinitrile (CAS 20654-67-5), with molecular formula C4H2N2S2 and molecular weight 141.97 g/mol. IUPAC: (E)-2,3-bis(sulfanyl)but-2-enedinitrile.
Chemical Property Profile of (E)-2,3-Dimercapto-2-butenedinitrile
Property Insights of (E)-2,3-Dimercapto-2-butenedinitrile
The XLogP value of 1.10476 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2,3-Dimercapto-2-butenedinitrile. With a topological polar surface area (TPSA) of 47.58 Ų, (E)-2,3-Dimercapto-2-butenedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2,3-Dimercapto-2-butenedinitrile 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 (E)-2,3-Dimercapto-2-butenedinitrile?
The CAS number of (E)-2,3-Dimercapto-2-butenedinitrile is 20654-67-5.
What is the molecular formula of (E)-2,3-Dimercapto-2-butenedinitrile?
The molecular formula of (E)-2,3-Dimercapto-2-butenedinitrile is C4H2N2S2.
What is the molecular weight of (E)-2,3-Dimercapto-2-butenedinitrile?
The molecular weight of (E)-2,3-Dimercapto-2-butenedinitrile is 141.97 g/mol.
Where can I buy (E)-2,3-Dimercapto-2-butenedinitrile?
You can request a quote for (E)-2,3-Dimercapto-2-butenedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2,3-Dimercapto-2-butenedinitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2,3-Dimercapto-2-butenedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.