Butanenitrile, 3-methyl-2-(phenylthio)-
TL;DR: Butanenitrile, 3-methyl-2-(phenylthio)- (CAS 89278-07-9) is a chemical compound with molecular formula C11H13NS and molecular weight 191.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-phenylsulfanylbutanenitrile
Also Known As: Butanenitrile, 3-methyl-2-(phenylthio)-, 3-methyl-2-(phenylsulfanyl)butanenitrile, 3-methyl-2-phenylsulfanylbutanenitrile, 1-nitro-2-cyanomethyl-naphthalene, 3-methyl-2-phenylsulfanyl-butanenitrile
| Molecular Formula | C11H13NS |
|---|---|
| Molecular Weight | 191.08 g/mol |
| LogP | 3.32688 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 191.07687 |
| Heavy Atoms | 13 |
| Complexity | 286.70862 |
Chemical Identifiers
| CAS Number | 89278-07-9 |
|---|---|
| SMILES | CC(C)C(C#N)SC1=CC=CC=C1 |
Product Overview
Butanenitrile, 3-methyl-2-(phenylthio)- (CAS 89278-07-9), with molecular formula C11H13NS and molecular weight 191.08 g/mol. IUPAC: 3-methyl-2-phenylsulfanylbutanenitrile.
Chemical Property Profile of Butanenitrile, 3-methyl-2-(phenylthio)-
Property Insights of Butanenitrile, 3-methyl-2-(phenylthio)-
The XLogP value of 3.32688 indicates that Butanenitrile, 3-methyl-2-(phenylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, Butanenitrile, 3-methyl-2-(phenylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanenitrile, 3-methyl-2-(phenylthio)- 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 Butanenitrile, 3-methyl-2-(phenylthio)-?
The CAS number of Butanenitrile, 3-methyl-2-(phenylthio)- is 89278-07-9.
What is the molecular formula of Butanenitrile, 3-methyl-2-(phenylthio)-?
The molecular formula of Butanenitrile, 3-methyl-2-(phenylthio)- is C11H13NS.
What is the molecular weight of Butanenitrile, 3-methyl-2-(phenylthio)-?
The molecular weight of Butanenitrile, 3-methyl-2-(phenylthio)- is 191.08 g/mol.
Where can I buy Butanenitrile, 3-methyl-2-(phenylthio)-?
You can request a quote for Butanenitrile, 3-methyl-2-(phenylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanenitrile, 3-methyl-2-(phenylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Butanenitrile, 3-methyl-2-(phenylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.