3-Propan-2-ylsulfanylpropanenitrile
TL;DR: 3-Propan-2-ylsulfanylpropanenitrile (CAS 601-39-8) is a chemical compound with molecular formula C6H11NS and molecular weight 129.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-propan-2-ylsulfanylpropanenitrile
Also Known As: 3-propan-2-ylsulfanylpropanenitrile, 3-(Isopropylthio)propanenitrile, 2-Cyanoethyl isopropyl sulfide, 3-(propan-2-ylsulfanyl)propanenitrile, 3-(2-propylmercapto)propionitrile
| Molecular Formula | C6H11NS |
|---|---|
| Molecular Weight | 129.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 129.06122 |
| Heavy Atoms | 8 |
| Complexity | 89.0 |
Chemical Identifiers
| CAS Number | 601-39-8 |
|---|---|
| SMILES | CC(C)SCCC#N |
| InChIKey | JHAMSNXTZUOQNB-UHFFFAOYSA-N |
Product Overview
3-Propan-2-ylsulfanylpropanenitrile (CAS 601-39-8), with molecular formula C6H11NS and molecular weight 129.06 g/mol. IUPAC: 3-propan-2-ylsulfanylpropanenitrile.
Chemical Property Profile of 3-Propan-2-ylsulfanylpropanenitrile
Property Insights of 3-Propan-2-ylsulfanylpropanenitrile
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Propan-2-ylsulfanylpropanenitrile. With a topological polar surface area (TPSA) of 49.1 Ų, 3-Propan-2-ylsulfanylpropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Propan-2-ylsulfanylpropanenitrile 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-Propan-2-ylsulfanylpropanenitrile?
The CAS number of 3-Propan-2-ylsulfanylpropanenitrile is 601-39-8.
What is the molecular formula of 3-Propan-2-ylsulfanylpropanenitrile?
The molecular formula of 3-Propan-2-ylsulfanylpropanenitrile is C6H11NS.
What is the molecular weight of 3-Propan-2-ylsulfanylpropanenitrile?
The molecular weight of 3-Propan-2-ylsulfanylpropanenitrile is 129.06 g/mol.
Where can I buy 3-Propan-2-ylsulfanylpropanenitrile?
You can request a quote for 3-Propan-2-ylsulfanylpropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Propan-2-ylsulfanylpropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Propan-2-ylsulfanylpropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.