![Benzonitrile, 4-[1-hydroxy-4-(methylthio)-3-butenyl]-, (Z)- structure](/static/products/973/97369-82-9.png)
Benzonitrile, 4-[1-hydroxy-4-(methylthio)-3-butenyl]-, (Z)-
TL;DR: Benzonitrile, 4-[1-hydroxy-4-(methylthio)-3-butenyl]-, (Z)- (CAS 97369-82-9) is a chemical compound with molecular formula C12H13NOS and molecular weight 219.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-1-hydroxy-4-methylsulfanylbut-3-enyl]benzonitrile
Also Known As: 4-(1-Hydroxy-4-(methylthio)-3-butenyl)benzonitril, 4-[(E)-1-hydroxy-4-methylsulfanylbut-3-enyl]benzonitrile, 4-[(3E)-1-Hydroxy-4-(methylsulfanyl)-3-butenyl]benzonitrile, Benzonitrile, 4-[1-hydroxy-4-(methylthio)-3-butenyl]-, (Z)-, 4-[(3E)-1-Hydroxy-4-(methylsulfanyl)-3-butenyl]benzonitrile #
| Molecular Formula | C12H13NOS |
|---|---|
| Molecular Weight | 219.07 g/mol |
| LogP | 2.85848 |
| Topological Polar Surface Area | 44.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.0718 |
| Heavy Atoms | 15 |
| Complexity | 364.20367 |
Chemical Identifiers
| CAS Number | 97369-82-9 |
|---|---|
| SMILES | CS/C=C/CC(C1=CC=C(C=C1)C#N)O |
Product Overview
Benzonitrile, 4-[1-hydroxy-4-(methylthio)-3-butenyl]-, (Z)- (CAS 97369-82-9), with molecular formula C12H13NOS and molecular weight 219.07 g/mol. IUPAC: 4-[(E)-1-hydroxy-4-methylsulfanylbut-3-enyl]benzonitrile.
Chemical Property Profile of Benzonitrile, 4-[1-hydroxy-4-(methylthio)-3-butenyl]-, (Z)-
Property Insights of Benzonitrile, 4-[1-hydroxy-4-(methylthio)-3-butenyl]-, (Z)-
The XLogP value of 2.85848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 4-[1-hydroxy-4-(methylthio)-3-butenyl]-, (Z)-. With a topological polar surface area (TPSA) of 44.02 Ų, Benzonitrile, 4-[1-hydroxy-4-(methylthio)-3-butenyl]-, (Z)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 4-[1-hydroxy-4-(methylthio)-3-butenyl]-, (Z)- has 1 hydrogen bond donor(s) and 3 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 Benzonitrile, 4-[1-hydroxy-4-(methylthio)-3-butenyl]-, (Z)-?
The CAS number of Benzonitrile, 4-[1-hydroxy-4-(methylthio)-3-butenyl]-, (Z)- is 97369-82-9.
What is the molecular formula of Benzonitrile, 4-[1-hydroxy-4-(methylthio)-3-butenyl]-, (Z)-?
The molecular formula of Benzonitrile, 4-[1-hydroxy-4-(methylthio)-3-butenyl]-, (Z)- is C12H13NOS.
What is the molecular weight of Benzonitrile, 4-[1-hydroxy-4-(methylthio)-3-butenyl]-, (Z)-?
The molecular weight of Benzonitrile, 4-[1-hydroxy-4-(methylthio)-3-butenyl]-, (Z)- is 219.07 g/mol.
Where can I buy Benzonitrile, 4-[1-hydroxy-4-(methylthio)-3-butenyl]-, (Z)-?
You can request a quote for Benzonitrile, 4-[1-hydroxy-4-(methylthio)-3-butenyl]-, (Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4-[1-hydroxy-4-(methylthio)-3-butenyl]-, (Z)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-[1-hydroxy-4-(methylthio)-3-butenyl]-, (Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.