![3-[(4-Methylphenyl)sulfanyl]propanenitrile structure](/static/products/7697/7697-04-3.webp)
3-[(4-Methylphenyl)sulfanyl]propanenitrile
TL;DR: 3-[(4-Methylphenyl)sulfanyl]propanenitrile (CAS 7697-04-3) is a chemical compound with molecular formula C10H11NS and molecular weight 177.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)sulfanylpropanenitrile
Also Known As: 3-[(4-Methylphenyl)thio]propanenitrile, 3-[(4-methylphenyl)sulfanyl]propanenitrile, 3-(p-tolylthio)propiononitrile, 3-(p-tolylsulfanyl)propanenitrile, 3-(4-methylphenyl)sulfanylpropanenitrile
| Molecular Formula | C10H11NS |
|---|---|
| Molecular Weight | 177.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.06122 |
| Heavy Atoms | 12 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 7697-04-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCCC#N |
| InChIKey | UAYGYWCMHLUBCP-UHFFFAOYSA-N |
Product Overview
3-[(4-Methylphenyl)sulfanyl]propanenitrile (CAS 7697-04-3), with molecular formula C10H11NS and molecular weight 177.06 g/mol. IUPAC: 3-(4-methylphenyl)sulfanylpropanenitrile.
Chemical Property Profile of 3-[(4-Methylphenyl)sulfanyl]propanenitrile
Property Insights of 3-[(4-Methylphenyl)sulfanyl]propanenitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-Methylphenyl)sulfanyl]propanenitrile. With a topological polar surface area (TPSA) of 49.1 Ų, 3-[(4-Methylphenyl)sulfanyl]propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-Methylphenyl)sulfanyl]propanenitrile has 0 hydrogen bond donor(s) and 2 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-[(4-Methylphenyl)sulfanyl]propanenitrile?
The CAS number of 3-[(4-Methylphenyl)sulfanyl]propanenitrile is 7697-04-3.
What is the molecular formula of 3-[(4-Methylphenyl)sulfanyl]propanenitrile?
The molecular formula of 3-[(4-Methylphenyl)sulfanyl]propanenitrile is C10H11NS.
What is the molecular weight of 3-[(4-Methylphenyl)sulfanyl]propanenitrile?
The molecular weight of 3-[(4-Methylphenyl)sulfanyl]propanenitrile is 177.06 g/mol.
Where can I buy 3-[(4-Methylphenyl)sulfanyl]propanenitrile?
You can request a quote for 3-[(4-Methylphenyl)sulfanyl]propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-Methylphenyl)sulfanyl]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Methylphenyl)sulfanyl]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.