Ethyl 2-cyano-3,3-disulfanylprop-2-enoate
TL;DR: Ethyl 2-cyano-3,3-disulfanylprop-2-enoate (CAS 44975-54-4) is a chemical compound with molecular formula C6H5NO2S2-2 and molecular weight 186.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-azanidylidene-2-ethoxycarbonylprop-2-enedithioate
Also Known As: ethyl 2-cyano-3,3-disulfanylprop-2-enoate, 2-cyano-3-ethoxy-3-oxidoprop-2-enedithioate, 2-Cyano-3,3-bisthiolatoacrylic acid ethyl ester, (Z)-2-cyano-3-ethoxy-3-oxidoprop-2-enedithioate, 2-Cyano-3-ethoxy-3-oxoprop-1-ene-1,1-bis(thiolate)
| Molecular Formula | C6H5NO2S2-2 |
|---|---|
| Molecular Weight | 186.98 g/mol |
| LogP | 0.5893 |
| Topological Polar Surface Area | 48.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 186.97617 |
| Heavy Atoms | 11 |
| Complexity | 230.73679 |
Chemical Identifiers
| CAS Number | 44975-54-4 |
|---|---|
| SMILES | CCOC(=O)C(=C=[N-])C(=S)[S-] |
Product Overview
Ethyl 2-cyano-3,3-disulfanylprop-2-enoate (CAS 44975-54-4), with molecular formula C6H5NO2S2-2 and molecular weight 186.98 g/mol. IUPAC: 3-azanidylidene-2-ethoxycarbonylprop-2-enedithioate.
Chemical Property Profile of Ethyl 2-cyano-3,3-disulfanylprop-2-enoate
Property Insights of Ethyl 2-cyano-3,3-disulfanylprop-2-enoate
The XLogP value of 0.5893 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyano-3,3-disulfanylprop-2-enoate. With a topological polar surface area (TPSA) of 48.6 Ų, Ethyl 2-cyano-3,3-disulfanylprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-cyano-3,3-disulfanylprop-2-enoate 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 Ethyl 2-cyano-3,3-disulfanylprop-2-enoate?
The CAS number of Ethyl 2-cyano-3,3-disulfanylprop-2-enoate is 44975-54-4.
What is the molecular formula of Ethyl 2-cyano-3,3-disulfanylprop-2-enoate?
The molecular formula of Ethyl 2-cyano-3,3-disulfanylprop-2-enoate is C6H5NO2S2-2.
What is the molecular weight of Ethyl 2-cyano-3,3-disulfanylprop-2-enoate?
The molecular weight of Ethyl 2-cyano-3,3-disulfanylprop-2-enoate is 186.98 g/mol.
Where can I buy Ethyl 2-cyano-3,3-disulfanylprop-2-enoate?
You can request a quote for Ethyl 2-cyano-3,3-disulfanylprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-cyano-3,3-disulfanylprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-3,3-disulfanylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.