2-Phenacylsulfanylacetonitrile
TL;DR: 2-Phenacylsulfanylacetonitrile (CAS 80737-85-5) is a chemical compound with molecular formula C10H9NOS and molecular weight 191.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenacylsulfanylacetonitrile
Also Known As: 2-phenacylsulfanylacetonitrile, phenacylthio-acetonitrile, S-phenacylthioacetonitrile, [(2-Oxo-2-phenylethyl)sulfanyl]acetonitrile, RefChem:265074
| Molecular Formula | C10H9NOS |
|---|---|
| Molecular Weight | 191.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 66.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 191.04048 |
| Heavy Atoms | 13 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 80737-85-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CSCC#N |
| InChIKey | ZXNWVZRDLOLZFL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Phenacylsulfanylacetonitrile (CAS 80737-85-5), with molecular formula C10H9NOS and molecular weight 191.04 g/mol. IUPAC: 2-phenacylsulfanylacetonitrile.
Chemical Property Profile of 2-Phenacylsulfanylacetonitrile
Property Insights of 2-Phenacylsulfanylacetonitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenacylsulfanylacetonitrile. The TPSA of 66.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Phenacylsulfanylacetonitrile. Following Lipinski's Rule of Five, 2-Phenacylsulfanylacetonitrile has 0 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 2-Phenacylsulfanylacetonitrile?
The CAS number of 2-Phenacylsulfanylacetonitrile is 80737-85-5.
What is the molecular formula of 2-Phenacylsulfanylacetonitrile?
The molecular formula of 2-Phenacylsulfanylacetonitrile is C10H9NOS.
What is the molecular weight of 2-Phenacylsulfanylacetonitrile?
The molecular weight of 2-Phenacylsulfanylacetonitrile is 191.04 g/mol.
Where can I buy 2-Phenacylsulfanylacetonitrile?
You can request a quote for 2-Phenacylsulfanylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenacylsulfanylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenacylsulfanylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.