2-Amino-6-methylthio-4-phenylbenzene-1,3-dicarbonitrile
TL;DR: 2-Amino-6-methylthio-4-phenylbenzene-1,3-dicarbonitrile (CAS 77697-96-2) is a chemical compound with molecular formula C15H11N3S and molecular weight 265.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-methylsulfanyl-6-phenylbenzene-1,3-dicarbonitrile
Also Known As: J1.822.693F, 2-Amino-4-(methylthio)-6-phenylisophthalonitrile, 3-Amino-5-(methylthio)biphenyl-2,4-dicarbonitrile, 2-amino-6-methylthio-4-phenylbenzene-1,3-dicarbonitrile, 2-amino-4-methylsulfanyl-6-phenyl-benzene-1,3-dicarbonitrile
| Molecular Formula | C15H11N3S |
|---|---|
| Molecular Weight | 265.07 g/mol |
| LogP | 3.40106 |
| Topological Polar Surface Area | 73.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.06738 |
| Heavy Atoms | 19 |
| Complexity | 694.0562 |
Chemical Identifiers
| CAS Number | 77697-96-2 |
|---|---|
| SMILES | CSC1=C(C(=C(C(=C1)C2=CC=CC=C2)C#N)N)C#N |
Product Overview
2-Amino-6-methylthio-4-phenylbenzene-1,3-dicarbonitrile (CAS 77697-96-2), with molecular formula C15H11N3S and molecular weight 265.07 g/mol. IUPAC: 2-amino-4-methylsulfanyl-6-phenylbenzene-1,3-dicarbonitrile.
Chemical Property Profile of 2-Amino-6-methylthio-4-phenylbenzene-1,3-dicarbonitrile
Property Insights of 2-Amino-6-methylthio-4-phenylbenzene-1,3-dicarbonitrile
The XLogP value of 3.40106 indicates that 2-Amino-6-methylthio-4-phenylbenzene-1,3-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-6-methylthio-4-phenylbenzene-1,3-dicarbonitrile. Following Lipinski's Rule of Five, 2-Amino-6-methylthio-4-phenylbenzene-1,3-dicarbonitrile 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-Amino-6-methylthio-4-phenylbenzene-1,3-dicarbonitrile?
The CAS number of 2-Amino-6-methylthio-4-phenylbenzene-1,3-dicarbonitrile is 77697-96-2.
What is the molecular formula of 2-Amino-6-methylthio-4-phenylbenzene-1,3-dicarbonitrile?
The molecular formula of 2-Amino-6-methylthio-4-phenylbenzene-1,3-dicarbonitrile is C15H11N3S.
What is the molecular weight of 2-Amino-6-methylthio-4-phenylbenzene-1,3-dicarbonitrile?
The molecular weight of 2-Amino-6-methylthio-4-phenylbenzene-1,3-dicarbonitrile is 265.07 g/mol.
Where can I buy 2-Amino-6-methylthio-4-phenylbenzene-1,3-dicarbonitrile?
You can request a quote for 2-Amino-6-methylthio-4-phenylbenzene-1,3-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-6-methylthio-4-phenylbenzene-1,3-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-6-methylthio-4-phenylbenzene-1,3-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.