1,2-Dicyano-1,2-dimercaptoethylene
TL;DR: 1,2-Dicyano-1,2-dimercaptoethylene (CAS 41999-83-1) 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.
2,3-bis(sulfanyl)but-2-enedinitrile
Also Known As: dimercaptodicyanoethylene, 1,2-dicyano-1,2-dimercaptoethylene, 2-Butenedinitrile, 2,3-dimercapto-, 2,3-bis(sulfanyl)but-2-enedinitrile, 2-Butenedinitrile, 2,3-dimercapto-, (2Z)-
| Molecular Formula | C4H2N2S2 |
|---|---|
| Molecular Weight | 141.97 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 49.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 141.96594 |
| Heavy Atoms | 8 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 41999-83-1 |
|---|---|
| SMILES | C(#N)C(=C(C#N)S)S |
| InChIKey | DMDOIBWPFWJPQJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Dicyano-1,2-dimercaptoethylene (CAS 41999-83-1), with molecular formula C4H2N2S2 and molecular weight 141.97 g/mol. IUPAC: 2,3-bis(sulfanyl)but-2-enedinitrile.
Chemical Property Profile of 1,2-Dicyano-1,2-dimercaptoethylene
Property Insights of 1,2-Dicyano-1,2-dimercaptoethylene
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Dicyano-1,2-dimercaptoethylene. With a topological polar surface area (TPSA) of 49.6 Ų, 1,2-Dicyano-1,2-dimercaptoethylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dicyano-1,2-dimercaptoethylene 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 1,2-Dicyano-1,2-dimercaptoethylene?
The CAS number of 1,2-Dicyano-1,2-dimercaptoethylene is 41999-83-1.
What is the molecular formula of 1,2-Dicyano-1,2-dimercaptoethylene?
The molecular formula of 1,2-Dicyano-1,2-dimercaptoethylene is C4H2N2S2.
What is the molecular weight of 1,2-Dicyano-1,2-dimercaptoethylene?
The molecular weight of 1,2-Dicyano-1,2-dimercaptoethylene is 141.97 g/mol.
Where can I buy 1,2-Dicyano-1,2-dimercaptoethylene?
You can request a quote for 1,2-Dicyano-1,2-dimercaptoethylene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dicyano-1,2-dimercaptoethylene?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dicyano-1,2-dimercaptoethylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.