3-Anilino-2-(benzenesulfonyl)-3-methylsulfanyl-prop-2-enenitrile
TL;DR: 3-Anilino-2-(benzenesulfonyl)-3-methylsulfanyl-prop-2-enenitrile (CAS 1799604-87-7) is a chemical compound with molecular formula C16H14N2O2S2 and molecular weight 330.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-anilino-2-(benzenesulfonyl)-3-methylsulfanylprop-2-enenitrile
Also Known As: 3-anilino-2-(benzenesulfonyl)-3-methylsulfanyl-prop-2-enenitrile, 3-anilino-2-(benzenesulfonyl)-3-methylsulfanylprop-2-enenitrile, 3-Methylthio-3-(phenylamino)-2-(phenylsulfonyl)prop-2-enenitrile, (E)-3-anilino-3-(methylsulfanyl)-2-(phenylsulfonyl)-2-propenenitrile, (2E)-2-(benzenesulfonyl)-3-(methylsulfanyl)-3-(phenylamino)prop-2-enenitrile
| Molecular Formula | C16H14N2O2S2 |
|---|---|
| Molecular Weight | 330.05 g/mol |
| LogP | 3.62808 |
| Topological Polar Surface Area | 69.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.04968 |
| Heavy Atoms | 22 |
| Complexity | 808.22925 |
Chemical Identifiers
| CAS Number | 1799604-87-7 |
|---|---|
| SMILES | CSC(=C(C#N)S(=O)(=O)C1=CC=CC=C1)NC2=CC=CC=C2 |
Product Overview
3-Anilino-2-(benzenesulfonyl)-3-methylsulfanyl-prop-2-enenitrile (CAS 1799604-87-7), with molecular formula C16H14N2O2S2 and molecular weight 330.05 g/mol. IUPAC: 3-anilino-2-(benzenesulfonyl)-3-methylsulfanylprop-2-enenitrile.
Chemical Property Profile of 3-Anilino-2-(benzenesulfonyl)-3-methylsulfanyl-prop-2-enenitrile
Property Insights of 3-Anilino-2-(benzenesulfonyl)-3-methylsulfanyl-prop-2-enenitrile
The XLogP value of 3.62808 indicates that 3-Anilino-2-(benzenesulfonyl)-3-methylsulfanyl-prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Anilino-2-(benzenesulfonyl)-3-methylsulfanyl-prop-2-enenitrile. Following Lipinski's Rule of Five, 3-Anilino-2-(benzenesulfonyl)-3-methylsulfanyl-prop-2-enenitrile has 1 hydrogen bond donor(s) and 5 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 3-Anilino-2-(benzenesulfonyl)-3-methylsulfanyl-prop-2-enenitrile?
The CAS number of 3-Anilino-2-(benzenesulfonyl)-3-methylsulfanyl-prop-2-enenitrile is 1799604-87-7.
What is the molecular formula of 3-Anilino-2-(benzenesulfonyl)-3-methylsulfanyl-prop-2-enenitrile?
The molecular formula of 3-Anilino-2-(benzenesulfonyl)-3-methylsulfanyl-prop-2-enenitrile is C16H14N2O2S2.
What is the molecular weight of 3-Anilino-2-(benzenesulfonyl)-3-methylsulfanyl-prop-2-enenitrile?
The molecular weight of 3-Anilino-2-(benzenesulfonyl)-3-methylsulfanyl-prop-2-enenitrile is 330.05 g/mol.
Where can I buy 3-Anilino-2-(benzenesulfonyl)-3-methylsulfanyl-prop-2-enenitrile?
You can request a quote for 3-Anilino-2-(benzenesulfonyl)-3-methylsulfanyl-prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Anilino-2-(benzenesulfonyl)-3-methylsulfanyl-prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Anilino-2-(benzenesulfonyl)-3-methylsulfanyl-prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.