![Benzonitrile, 2-amino-6-[(4-methylphenyl)thio]- structure](/static/products/1689/168910-27-8.webp)
Benzonitrile, 2-amino-6-[(4-methylphenyl)thio]-
TL;DR: Benzonitrile, 2-amino-6-[(4-methylphenyl)thio]- (CAS 168910-27-8) is a chemical compound with molecular formula C14H12N2S and molecular weight 240.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-6-(4-methylphenyl)sulfanylbenzonitrile
Also Known As: 2-Amino-6-(p-tolylthio)benzonitrile, 2-amino-6-(4-methylphenyl)sulfanylbenzonitrile, 2-Amino-6-p-tolylsulfanyl-benzonitrile, Benzonitrile, 2-amino-6-[(4-methylphenyl)thio]-, 2-amino-6-(p-tolylsulfanyl)benzonitrile
| Molecular Formula | C14H12N2S |
|---|---|
| Molecular Weight | 240.07 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 75.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.07211 |
| Heavy Atoms | 17 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 168910-27-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=CC=CC(=C2C#N)N |
| InChIKey | NLGYCJNCIXKPHK-UHFFFAOYSA-N |
Product Overview
Benzonitrile, 2-amino-6-[(4-methylphenyl)thio]- (CAS 168910-27-8), with molecular formula C14H12N2S and molecular weight 240.07 g/mol. IUPAC: 2-amino-6-(4-methylphenyl)sulfanylbenzonitrile.
Chemical Property Profile of Benzonitrile, 2-amino-6-[(4-methylphenyl)thio]-
Property Insights of Benzonitrile, 2-amino-6-[(4-methylphenyl)thio]-
The XLogP value of 3.9 indicates that Benzonitrile, 2-amino-6-[(4-methylphenyl)thio]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonitrile, 2-amino-6-[(4-methylphenyl)thio]-. Following Lipinski's Rule of Five, Benzonitrile, 2-amino-6-[(4-methylphenyl)thio]- has 1 hydrogen bond donor(s) and 3 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 Benzonitrile, 2-amino-6-[(4-methylphenyl)thio]-?
The CAS number of Benzonitrile, 2-amino-6-[(4-methylphenyl)thio]- is 168910-27-8.
What is the molecular formula of Benzonitrile, 2-amino-6-[(4-methylphenyl)thio]-?
The molecular formula of Benzonitrile, 2-amino-6-[(4-methylphenyl)thio]- is C14H12N2S.
What is the molecular weight of Benzonitrile, 2-amino-6-[(4-methylphenyl)thio]-?
The molecular weight of Benzonitrile, 2-amino-6-[(4-methylphenyl)thio]- is 240.07 g/mol.
Where can I buy Benzonitrile, 2-amino-6-[(4-methylphenyl)thio]-?
You can request a quote for Benzonitrile, 2-amino-6-[(4-methylphenyl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 2-amino-6-[(4-methylphenyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 2-amino-6-[(4-methylphenyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.