3-((2-Ethylhexyl)thio)-2-methylpropiononitrile
TL;DR: 3-((2-Ethylhexyl)thio)-2-methylpropiononitrile (CAS 93918-83-3) is a chemical compound with molecular formula C12H23NS and molecular weight 213.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-ethylhexylsulfanyl)-2-methylpropanenitrile
Also Known As: EINECS 299-964-5, 3-((2-Ethylhexyl)thio)-2-methylpropiononitrile, 3-[ thio]-2-methylpropiononitrile, 3-(2-ethylhexylsulfanyl)-2-methylpropanenitrile, 3-[(2-Ethylhexyl)thio]-2-methylpropanenitrile
| Molecular Formula | C12H23NS |
|---|---|
| Molecular Weight | 213.16 g/mol |
| LogP | 4.09568 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 213.15512 |
| Heavy Atoms | 14 |
| Complexity | 162.19489 |
Chemical Identifiers
| CAS Number | 93918-83-3 |
|---|---|
| SMILES | CCCCC(CC)CSCC(C)C#N |
Product Overview
3-((2-Ethylhexyl)thio)-2-methylpropiononitrile (CAS 93918-83-3), with molecular formula C12H23NS and molecular weight 213.16 g/mol. IUPAC: 3-(2-ethylhexylsulfanyl)-2-methylpropanenitrile.
Chemical Property Profile of 3-((2-Ethylhexyl)thio)-2-methylpropiononitrile
Property Insights of 3-((2-Ethylhexyl)thio)-2-methylpropiononitrile
The XLogP value of 4.09568 indicates that 3-((2-Ethylhexyl)thio)-2-methylpropiononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 3-((2-Ethylhexyl)thio)-2-methylpropiononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((2-Ethylhexyl)thio)-2-methylpropiononitrile 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-((2-Ethylhexyl)thio)-2-methylpropiononitrile?
The CAS number of 3-((2-Ethylhexyl)thio)-2-methylpropiononitrile is 93918-83-3.
What is the molecular formula of 3-((2-Ethylhexyl)thio)-2-methylpropiononitrile?
The molecular formula of 3-((2-Ethylhexyl)thio)-2-methylpropiononitrile is C12H23NS.
What is the molecular weight of 3-((2-Ethylhexyl)thio)-2-methylpropiononitrile?
The molecular weight of 3-((2-Ethylhexyl)thio)-2-methylpropiononitrile is 213.16 g/mol.
Where can I buy 3-((2-Ethylhexyl)thio)-2-methylpropiononitrile?
You can request a quote for 3-((2-Ethylhexyl)thio)-2-methylpropiononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((2-Ethylhexyl)thio)-2-methylpropiononitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-((2-Ethylhexyl)thio)-2-methylpropiononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.