(2-Methylsulfonyl-1-propenyl)benzene
TL;DR: (2-Methylsulfonyl-1-propenyl)benzene (CAS 54845-43-1) is a chemical compound with molecular formula C10H12O2S and molecular weight 196.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfonylprop-1-enylbenzene
Also Known As: (2-Methylsulfonyl-1-propenyl)benzene, 2-(methylsulfonyl)-1-phenyl-1-propene
| Molecular Formula | C10H12O2S |
|---|---|
| Molecular Weight | 196.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.0558 |
| Heavy Atoms | 13 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 54845-43-1 |
|---|---|
| SMILES | CC(=CC1=CC=CC=C1)S(=O)(=O)C |
| InChIKey | BQIKBTDLRYLUAP-UHFFFAOYSA-N |
Product Overview
(2-Methylsulfonyl-1-propenyl)benzene (CAS 54845-43-1), with molecular formula C10H12O2S and molecular weight 196.06 g/mol. IUPAC: 2-methylsulfonylprop-1-enylbenzene.
Chemical Property Profile of (2-Methylsulfonyl-1-propenyl)benzene
Property Insights of (2-Methylsulfonyl-1-propenyl)benzene
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Methylsulfonyl-1-propenyl)benzene. With a topological polar surface area (TPSA) of 42.5 Ų, (2-Methylsulfonyl-1-propenyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Methylsulfonyl-1-propenyl)benzene 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 (2-Methylsulfonyl-1-propenyl)benzene?
The CAS number of (2-Methylsulfonyl-1-propenyl)benzene is 54845-43-1.
What is the molecular formula of (2-Methylsulfonyl-1-propenyl)benzene?
The molecular formula of (2-Methylsulfonyl-1-propenyl)benzene is C10H12O2S.
What is the molecular weight of (2-Methylsulfonyl-1-propenyl)benzene?
The molecular weight of (2-Methylsulfonyl-1-propenyl)benzene is 196.06 g/mol.
Where can I buy (2-Methylsulfonyl-1-propenyl)benzene?
You can request a quote for (2-Methylsulfonyl-1-propenyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Methylsulfonyl-1-propenyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (2-Methylsulfonyl-1-propenyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.