(E)-3-benzylsulfanyl-2-cyano-3-sulfanylprop-2-enamide
TL;DR: (E)-3-benzylsulfanyl-2-cyano-3-sulfanylprop-2-enamide (CAS 65882-52-2) is a chemical compound with molecular formula C11H10N2OS2 and molecular weight 250.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-benzylsulfanyl-2-cyano-3-sulfanylprop-2-enamide
Also Known As: 3-(benzylthio)-2-cyano-3-mercaptoacrylamide, 3-benzylsulfanyl-2-cyano-3-sulfanyl-prop-2-enamide, (E)-3-benzylsulfanyl-2-cyano-3-sulfanylprop-2-enamide, 2-Propenamide, 2-cyano-3-mercapto-3-[(phenylmethyl)thio]-
| Molecular Formula | C11H10N2OS2 |
|---|---|
| Molecular Weight | 250.02 g/mol |
| LogP | 2.07008 |
| Topological Polar Surface Area | 66.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.02345 |
| Heavy Atoms | 16 |
| Complexity | 448.8024 |
Chemical Identifiers
| CAS Number | 65882-52-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CS/C(=C(\C#N)/C(=O)N)/S |
Product Overview
(E)-3-benzylsulfanyl-2-cyano-3-sulfanylprop-2-enamide (CAS 65882-52-2), with molecular formula C11H10N2OS2 and molecular weight 250.02 g/mol. IUPAC: (E)-3-benzylsulfanyl-2-cyano-3-sulfanylprop-2-enamide.
Chemical Property Profile of (E)-3-benzylsulfanyl-2-cyano-3-sulfanylprop-2-enamide
Property Insights of (E)-3-benzylsulfanyl-2-cyano-3-sulfanylprop-2-enamide
The XLogP value of 2.07008 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-benzylsulfanyl-2-cyano-3-sulfanylprop-2-enamide. The TPSA of 66.88 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-benzylsulfanyl-2-cyano-3-sulfanylprop-2-enamide. Following Lipinski's Rule of Five, (E)-3-benzylsulfanyl-2-cyano-3-sulfanylprop-2-enamide 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)-3-benzylsulfanyl-2-cyano-3-sulfanylprop-2-enamide?
The CAS number of (E)-3-benzylsulfanyl-2-cyano-3-sulfanylprop-2-enamide is 65882-52-2.
What is the molecular formula of (E)-3-benzylsulfanyl-2-cyano-3-sulfanylprop-2-enamide?
The molecular formula of (E)-3-benzylsulfanyl-2-cyano-3-sulfanylprop-2-enamide is C11H10N2OS2.
What is the molecular weight of (E)-3-benzylsulfanyl-2-cyano-3-sulfanylprop-2-enamide?
The molecular weight of (E)-3-benzylsulfanyl-2-cyano-3-sulfanylprop-2-enamide is 250.02 g/mol.
Where can I buy (E)-3-benzylsulfanyl-2-cyano-3-sulfanylprop-2-enamide?
You can request a quote for (E)-3-benzylsulfanyl-2-cyano-3-sulfanylprop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-benzylsulfanyl-2-cyano-3-sulfanylprop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-benzylsulfanyl-2-cyano-3-sulfanylprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.