7-(Methylthio)heptanenitrile
TL;DR: 7-(Methylthio)heptanenitrile (CAS 75272-78-5) is a chemical compound with molecular formula C8H15NS and molecular weight 157.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methylsulfanylheptanenitrile
Also Known As: 7-(Methylthio)heptanenitrile, 7-Methylthioheptanenitrile, 7-methylsulfanylheptanenitrile, Heptanenitrile, 7-(methylthio)-, 7-methylsulanylheptanenitrile
| Molecular Formula | C8H15NS |
|---|---|
| Molecular Weight | 157.09 g/mol |
| LogP | 2.82348 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 157.09251 |
| Heavy Atoms | 10 |
| Complexity | 95.92094 |
Chemical Identifiers
| CAS Number | 75272-78-5 |
|---|---|
| SMILES | CSCCCCCCC#N |
Product Overview
7-(Methylthio)heptanenitrile (CAS 75272-78-5), with molecular formula C8H15NS and molecular weight 157.09 g/mol. IUPAC: 7-methylsulfanylheptanenitrile.
Chemical Property Profile of 7-(Methylthio)heptanenitrile
Property Insights of 7-(Methylthio)heptanenitrile
The XLogP value of 2.82348 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(Methylthio)heptanenitrile. With a topological polar surface area (TPSA) of 23.79 Ų, 7-(Methylthio)heptanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(Methylthio)heptanenitrile 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 7-(Methylthio)heptanenitrile?
The CAS number of 7-(Methylthio)heptanenitrile is 75272-78-5.
What is the molecular formula of 7-(Methylthio)heptanenitrile?
The molecular formula of 7-(Methylthio)heptanenitrile is C8H15NS.
What is the molecular weight of 7-(Methylthio)heptanenitrile?
The molecular weight of 7-(Methylthio)heptanenitrile is 157.09 g/mol.
Where can I buy 7-(Methylthio)heptanenitrile?
You can request a quote for 7-(Methylthio)heptanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(Methylthio)heptanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 7-(Methylthio)heptanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.