![3-[4-(Methylsulfanyl)phenyl]prop-2-enal structure](/static/products/134/134515-52-9.png)
3-[4-(Methylsulfanyl)phenyl]prop-2-enal
TL;DR: 3-[4-(Methylsulfanyl)phenyl]prop-2-enal (CAS 134515-52-9) is a chemical compound with molecular formula C10H10OS and molecular weight 178.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-methylsulfanylphenyl)prop-2-enal
Also Known As: 3-[4-(methylsulfanyl)phenyl]prop-2-enal, (E)-3-(4-(Methylthio)phenyl)acrylaldehyde, (E)-3-(4-methylsulfanylphenyl)prop-2-enal
| Molecular Formula | C10H10OS |
|---|---|
| Molecular Weight | 178.05 g/mol |
| LogP | 2.6206 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.04524 |
| Heavy Atoms | 12 |
| Complexity | 274.395 |
Chemical Identifiers
| CAS Number | 134515-52-9 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)/C=C/C=O |
Product Overview
3-[4-(Methylsulfanyl)phenyl]prop-2-enal (CAS 134515-52-9), with molecular formula C10H10OS and molecular weight 178.05 g/mol. IUPAC: (E)-3-(4-methylsulfanylphenyl)prop-2-enal.
Chemical Property Profile of 3-[4-(Methylsulfanyl)phenyl]prop-2-enal
Property Insights of 3-[4-(Methylsulfanyl)phenyl]prop-2-enal
The XLogP value of 2.6206 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-(Methylsulfanyl)phenyl]prop-2-enal. With a topological polar surface area (TPSA) of 17.07 Ų, 3-[4-(Methylsulfanyl)phenyl]prop-2-enal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[4-(Methylsulfanyl)phenyl]prop-2-enal 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-[4-(Methylsulfanyl)phenyl]prop-2-enal?
The CAS number of 3-[4-(Methylsulfanyl)phenyl]prop-2-enal is 134515-52-9.
What is the molecular formula of 3-[4-(Methylsulfanyl)phenyl]prop-2-enal?
The molecular formula of 3-[4-(Methylsulfanyl)phenyl]prop-2-enal is C10H10OS.
What is the molecular weight of 3-[4-(Methylsulfanyl)phenyl]prop-2-enal?
The molecular weight of 3-[4-(Methylsulfanyl)phenyl]prop-2-enal is 178.05 g/mol.
Where can I buy 3-[4-(Methylsulfanyl)phenyl]prop-2-enal?
You can request a quote for 3-[4-(Methylsulfanyl)phenyl]prop-2-enal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(Methylsulfanyl)phenyl]prop-2-enal?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(Methylsulfanyl)phenyl]prop-2-enal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.