![3-Amino-5-[(cyanomethyl)sulfanyl]-4-phenyl-2-thiophenecarbonitrile structure](/static/products/967/96750-38-8.png)
3-Amino-5-[(cyanomethyl)sulfanyl]-4-phenyl-2-thiophenecarbonitrile
TL;DR: 3-Amino-5-[(cyanomethyl)sulfanyl]-4-phenyl-2-thiophenecarbonitrile (CAS 96750-38-8) is a chemical compound with molecular formula C13H9N3S2 and molecular weight 271.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-5-(cyanomethylsulfanyl)-4-phenylthiophene-2-carbonitrile
Also Known As: 3-amino-5-[(cyanomethyl)sulfanyl]-4-phenyl-2-thiophenecarbonitrile, 3-amino-5-[(cyanomethyl)sulfanyl]-4-phenylthiophene-2-carbonitrile, 10P-339S, 3-amino-5-(cyanomethylsulfanyl)-4-phenylthiophene-2-carbonitrile, 3-Amino-5-(cyanomethyl)sulfanyl-4-phenyl-2-thiophenecarbonitrile
| Molecular Formula | C13H9N3S2 |
|---|---|
| Molecular Weight | 271.02 g/mol |
| LogP | 3.48466 |
| Topological Polar Surface Area | 73.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.0238 |
| Heavy Atoms | 18 |
| Complexity | 632.73645 |
Chemical Identifiers
| CAS Number | 96750-38-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(SC(=C2N)C#N)SCC#N |
Product Overview
3-Amino-5-[(cyanomethyl)sulfanyl]-4-phenyl-2-thiophenecarbonitrile (CAS 96750-38-8), with molecular formula C13H9N3S2 and molecular weight 271.02 g/mol. IUPAC: 3-amino-5-(cyanomethylsulfanyl)-4-phenylthiophene-2-carbonitrile.
Chemical Property Profile of 3-Amino-5-[(cyanomethyl)sulfanyl]-4-phenyl-2-thiophenecarbonitrile
Property Insights of 3-Amino-5-[(cyanomethyl)sulfanyl]-4-phenyl-2-thiophenecarbonitrile
The XLogP value of 3.48466 indicates that 3-Amino-5-[(cyanomethyl)sulfanyl]-4-phenyl-2-thiophenecarbonitrile 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 3-Amino-5-[(cyanomethyl)sulfanyl]-4-phenyl-2-thiophenecarbonitrile. Following Lipinski's Rule of Five, 3-Amino-5-[(cyanomethyl)sulfanyl]-4-phenyl-2-thiophenecarbonitrile 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-Amino-5-[(cyanomethyl)sulfanyl]-4-phenyl-2-thiophenecarbonitrile?
The CAS number of 3-Amino-5-[(cyanomethyl)sulfanyl]-4-phenyl-2-thiophenecarbonitrile is 96750-38-8.
What is the molecular formula of 3-Amino-5-[(cyanomethyl)sulfanyl]-4-phenyl-2-thiophenecarbonitrile?
The molecular formula of 3-Amino-5-[(cyanomethyl)sulfanyl]-4-phenyl-2-thiophenecarbonitrile is C13H9N3S2.
What is the molecular weight of 3-Amino-5-[(cyanomethyl)sulfanyl]-4-phenyl-2-thiophenecarbonitrile?
The molecular weight of 3-Amino-5-[(cyanomethyl)sulfanyl]-4-phenyl-2-thiophenecarbonitrile is 271.02 g/mol.
Where can I buy 3-Amino-5-[(cyanomethyl)sulfanyl]-4-phenyl-2-thiophenecarbonitrile?
You can request a quote for 3-Amino-5-[(cyanomethyl)sulfanyl]-4-phenyl-2-thiophenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-5-[(cyanomethyl)sulfanyl]-4-phenyl-2-thiophenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-5-[(cyanomethyl)sulfanyl]-4-phenyl-2-thiophenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.