2-Cyano-3,3-bis((phenylmethyl)thio)-2-propenamide
TL;DR: 2-Cyano-3,3-bis((phenylmethyl)thio)-2-propenamide (CAS 83261-76-1) is a chemical compound with molecular formula C18H16N2OS2 and molecular weight 340.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-bis(benzylsulfanyl)-2-cyanoprop-2-enamide
Also Known As: 2-Cyano-3,3-bis[(phenylmethyl)thio]-2-propenamide, 3,3-bis(benzylsulfanyl)-2-cyanoprop-2-enamide, 3,3-Bis-benzylsulfanyl-2-cyano-acrylamide, 2-carbamoyl-3,3-bis(benzylthio)acrylonitrile, 2-Cyano-3,3-bis((phenylmethyl)thio)-2-propenamide
| Molecular Formula | C18H16N2OS2 |
|---|---|
| Molecular Weight | 340.07 g/mol |
| LogP | 4.07368 |
| Topological Polar Surface Area | 66.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 340.0704 |
| Heavy Atoms | 23 |
| Complexity | 676.1917 |
Chemical Identifiers
| CAS Number | 83261-76-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC(=C(C#N)C(=O)N)SCC2=CC=CC=C2 |
Product Overview
2-Cyano-3,3-bis((phenylmethyl)thio)-2-propenamide (CAS 83261-76-1), with molecular formula C18H16N2OS2 and molecular weight 340.07 g/mol. IUPAC: 3,3-bis(benzylsulfanyl)-2-cyanoprop-2-enamide.
Chemical Property Profile of 2-Cyano-3,3-bis((phenylmethyl)thio)-2-propenamide
Property Insights of 2-Cyano-3,3-bis((phenylmethyl)thio)-2-propenamide
The XLogP value of 4.07368 indicates that 2-Cyano-3,3-bis((phenylmethyl)thio)-2-propenamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-3,3-bis((phenylmethyl)thio)-2-propenamide. Following Lipinski's Rule of Five, 2-Cyano-3,3-bis((phenylmethyl)thio)-2-propenamide has 1 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 2-Cyano-3,3-bis((phenylmethyl)thio)-2-propenamide?
The CAS number of 2-Cyano-3,3-bis((phenylmethyl)thio)-2-propenamide is 83261-76-1.
What is the molecular formula of 2-Cyano-3,3-bis((phenylmethyl)thio)-2-propenamide?
The molecular formula of 2-Cyano-3,3-bis((phenylmethyl)thio)-2-propenamide is C18H16N2OS2.
What is the molecular weight of 2-Cyano-3,3-bis((phenylmethyl)thio)-2-propenamide?
The molecular weight of 2-Cyano-3,3-bis((phenylmethyl)thio)-2-propenamide is 340.07 g/mol.
Where can I buy 2-Cyano-3,3-bis((phenylmethyl)thio)-2-propenamide?
You can request a quote for 2-Cyano-3,3-bis((phenylmethyl)thio)-2-propenamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-3,3-bis((phenylmethyl)thio)-2-propenamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-3,3-bis((phenylmethyl)thio)-2-propenamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.