2-((2,5-Dimethylphenyl)sulfanyl)acetonitrile
TL;DR: 2-((2,5-Dimethylphenyl)sulfanyl)acetonitrile (CAS 103575-52-6) 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.
2-(2,5-dimethylphenyl)sulfanylacetonitrile
Also Known As: 2-[(2,5-dimethylphenyl)sulfanyl]acetonitrile, 2-(2,5-dimethylphenyl)sulfanylacetonitrile, [(2,5-Dimethylphenyl)thio]acetonitrile, 2-((2,5-Dimethylphenyl)sulfanyl)acetonitrile, 968-242-8
| Molecular Formula | C10H11NS |
|---|---|
| Molecular Weight | 177.06 g/mol |
| LogP | 2.91912 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 177.06122 |
| Heavy Atoms | 12 |
| Complexity | 312.1049 |
Chemical Identifiers
| CAS Number | 103575-52-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)SCC#N |
Product Overview
2-((2,5-Dimethylphenyl)sulfanyl)acetonitrile (CAS 103575-52-6), with molecular formula C10H11NS and molecular weight 177.06 g/mol. IUPAC: 2-(2,5-dimethylphenyl)sulfanylacetonitrile.
Chemical Property Profile of 2-((2,5-Dimethylphenyl)sulfanyl)acetonitrile
Property Insights of 2-((2,5-Dimethylphenyl)sulfanyl)acetonitrile
The XLogP value of 2.91912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((2,5-Dimethylphenyl)sulfanyl)acetonitrile. With a topological polar surface area (TPSA) of 23.79 Ų, 2-((2,5-Dimethylphenyl)sulfanyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2,5-Dimethylphenyl)sulfanyl)acetonitrile 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 2-((2,5-Dimethylphenyl)sulfanyl)acetonitrile?
The CAS number of 2-((2,5-Dimethylphenyl)sulfanyl)acetonitrile is 103575-52-6.
What is the molecular formula of 2-((2,5-Dimethylphenyl)sulfanyl)acetonitrile?
The molecular formula of 2-((2,5-Dimethylphenyl)sulfanyl)acetonitrile is C10H11NS.
What is the molecular weight of 2-((2,5-Dimethylphenyl)sulfanyl)acetonitrile?
The molecular weight of 2-((2,5-Dimethylphenyl)sulfanyl)acetonitrile is 177.06 g/mol.
Where can I buy 2-((2,5-Dimethylphenyl)sulfanyl)acetonitrile?
You can request a quote for 2-((2,5-Dimethylphenyl)sulfanyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2,5-Dimethylphenyl)sulfanyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((2,5-Dimethylphenyl)sulfanyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.