3-(Methylsulfanyl)propanenitrile
TL;DR: 3-(Methylsulfanyl)propanenitrile (CAS 54974-63-9) is a chemical compound with molecular formula C4H7NS and molecular weight 101.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanylpropanenitrile
Also Known As: 3-(methylthio)propanenitrile, Propanenitrile, 3-(methylthio)-, 3-(Methylsulfanyl)propanenitrile, 3- propanenitrile, 3-methylsulfanylpropanenitrile
| Molecular Formula | C4H7NS |
|---|---|
| Molecular Weight | 101.03 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 101.02992 |
| Heavy Atoms | 6 |
| Complexity | 61.0 |
Chemical Identifiers
| CAS Number | 54974-63-9 |
|---|---|
| SMILES | CSCCC#N |
| InChIKey | INDWVHABTMSBCJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Methylsulfanyl)propanenitrile (CAS 54974-63-9), with molecular formula C4H7NS and molecular weight 101.03 g/mol. IUPAC: 3-methylsulfanylpropanenitrile.
Chemical Property Profile of 3-(Methylsulfanyl)propanenitrile
Property Insights of 3-(Methylsulfanyl)propanenitrile
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Methylsulfanyl)propanenitrile. With a topological polar surface area (TPSA) of 49.1 Ų, 3-(Methylsulfanyl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Methylsulfanyl)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-(Methylsulfanyl)propanenitrile?
The CAS number of 3-(Methylsulfanyl)propanenitrile is 54974-63-9.
What is the molecular formula of 3-(Methylsulfanyl)propanenitrile?
The molecular formula of 3-(Methylsulfanyl)propanenitrile is C4H7NS.
What is the molecular weight of 3-(Methylsulfanyl)propanenitrile?
The molecular weight of 3-(Methylsulfanyl)propanenitrile is 101.03 g/mol.
Where can I buy 3-(Methylsulfanyl)propanenitrile?
You can request a quote for 3-(Methylsulfanyl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Methylsulfanyl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methylsulfanyl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.