Acetonitrile, (2-propenylthio)-
TL;DR: Acetonitrile, (2-propenylthio)- (CAS 105643-80-9) is a chemical compound with molecular formula C5H7NS and molecular weight 113.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-prop-2-enylsulfanylacetonitrile
Also Known As: Allyl cyanomethyl sulfide, 2-Propenylthioacetonitrile, allylcyanomethyl sulfide, Acetonitrile, (2-propenylthio)-, CH2=CHCH2SCH2CN
| Molecular Formula | C5H7NS |
|---|---|
| Molecular Weight | 113.03 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 113.02992 |
| Heavy Atoms | 7 |
| Complexity | 89.0 |
Chemical Identifiers
| CAS Number | 105643-80-9 |
|---|---|
| SMILES | C=CCSCC#N |
| InChIKey | JXLPNWOZGBULRU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetonitrile, (2-propenylthio)- (CAS 105643-80-9), with molecular formula C5H7NS and molecular weight 113.03 g/mol. IUPAC: 2-prop-2-enylsulfanylacetonitrile.
Chemical Property Profile of Acetonitrile, (2-propenylthio)-
Property Insights of Acetonitrile, (2-propenylthio)-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetonitrile, (2-propenylthio)-. With a topological polar surface area (TPSA) of 49.1 Ų, Acetonitrile, (2-propenylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetonitrile, (2-propenylthio)- 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 Acetonitrile, (2-propenylthio)-?
The CAS number of Acetonitrile, (2-propenylthio)- is 105643-80-9.
What is the molecular formula of Acetonitrile, (2-propenylthio)-?
The molecular formula of Acetonitrile, (2-propenylthio)- is C5H7NS.
What is the molecular weight of Acetonitrile, (2-propenylthio)-?
The molecular weight of Acetonitrile, (2-propenylthio)- is 113.03 g/mol.
Where can I buy Acetonitrile, (2-propenylthio)-?
You can request a quote for Acetonitrile, (2-propenylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetonitrile, (2-propenylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Acetonitrile, (2-propenylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.