Propanenitrile, 2-methyl-2-(methylthio)-
TL;DR: Propanenitrile, 2-methyl-2-(methylthio)- (CAS 10074-86-9) is a chemical compound with molecular formula C5H9NS and molecular weight 115.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2-methylsulfanylpropanenitrile
Also Known As: Aldicarb nitrile, 2-methyl-2-(methylsulfanyl)propanenitrile, 2-Methyl-2-(methylthio)propanenitrile, Propanenitrile, 2-methyl-2-(methylthio)-, 2-methyl-2-methylsulfanylpropanenitrile
| Molecular Formula | C5H9NS |
|---|---|
| Molecular Weight | 115.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 115.04557 |
| Heavy Atoms | 7 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 10074-86-9 |
|---|---|
| SMILES | CC(C)(C#N)SC |
| InChIKey | BCTCSDKMQQXRKZ-UHFFFAOYSA-N |
Product Overview
Propanenitrile, 2-methyl-2-(methylthio)- (CAS 10074-86-9), with molecular formula C5H9NS and molecular weight 115.05 g/mol. IUPAC: 2-methyl-2-methylsulfanylpropanenitrile.
Chemical Property Profile of Propanenitrile, 2-methyl-2-(methylthio)-
Property Insights of Propanenitrile, 2-methyl-2-(methylthio)-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanenitrile, 2-methyl-2-(methylthio)-. With a topological polar surface area (TPSA) of 49.1 Ų, Propanenitrile, 2-methyl-2-(methylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanenitrile, 2-methyl-2-(methylthio)- 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 Propanenitrile, 2-methyl-2-(methylthio)-?
The CAS number of Propanenitrile, 2-methyl-2-(methylthio)- is 10074-86-9.
What is the molecular formula of Propanenitrile, 2-methyl-2-(methylthio)-?
The molecular formula of Propanenitrile, 2-methyl-2-(methylthio)- is C5H9NS.
What is the molecular weight of Propanenitrile, 2-methyl-2-(methylthio)-?
The molecular weight of Propanenitrile, 2-methyl-2-(methylthio)- is 115.05 g/mol.
Where can I buy Propanenitrile, 2-methyl-2-(methylthio)-?
You can request a quote for Propanenitrile, 2-methyl-2-(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanenitrile, 2-methyl-2-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Propanenitrile, 2-methyl-2-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.