Cinnamaldehyde, 2-(methylthio)methyl-
TL;DR: Cinnamaldehyde, 2-(methylthio)methyl- (CAS 100857-79-2) is a chemical compound with molecular formula C11H12OS and molecular weight 192.06088 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-[2-(methylsulfanylmethyl)phenyl]prop-2-enal
Also Known As: 2-(Methylthio)methyl-3-phenyl-2-propenal, (E)-3-[2-(methylsulfanylmethyl)phenyl]prop-2-enal, CINNAMALDEHYDE, 2-(METHYLTHIO)METHYL-, 3-[2-[(Methylthio)methyl]phenyl]propenal, 3-{2-[(methylsulfanyl)methyl]phenyl}prop-2-enal
Technical Specifications
| Molecular Formula | C11H12OS |
| Molecular Weight | 192.06088 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.06088 Da |
| Heavy Atoms | 13 |
| Complexity | 177.0 |
| SMILES | CSCC1=CC=CC=C1/C=C/C=O |
| InChIKey | ZGGXQXZDUBTYTO-QPJJXVBHSA-N |
Chemical Property Profile of Cinnamaldehyde, 2-(methylthio)methyl-
Property Insights of Cinnamaldehyde, 2-(methylthio)methyl-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cinnamaldehyde, 2-(methylthio)methyl-. With a topological polar surface area (TPSA) of 42.4 Ų, Cinnamaldehyde, 2-(methylthio)methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cinnamaldehyde, 2-(methylthio)methyl- 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
What is the CAS number of Cinnamaldehyde, 2-(methylthio)methyl-?
The CAS number of Cinnamaldehyde, 2-(methylthio)methyl- is 100857-79-2.
What is the molecular formula of Cinnamaldehyde, 2-(methylthio)methyl-?
The molecular formula of Cinnamaldehyde, 2-(methylthio)methyl- is C11H12OS.
What is the molecular weight of Cinnamaldehyde, 2-(methylthio)methyl-?
The molecular weight of Cinnamaldehyde, 2-(methylthio)methyl- is 192.06088 g/mol.
Where can I buy Cinnamaldehyde, 2-(methylthio)methyl-?
You can request a quote for Cinnamaldehyde, 2-(methylthio)methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cinnamaldehyde, 2-(methylthio)methyl-?
Yes, CoreyChem provides custom synthesis services for Cinnamaldehyde, 2-(methylthio)methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.