(1,2-Propadienylsulphonyl)benzene
TL;DR: (1,2-Propadienylsulphonyl)benzene (CAS 2525-42-0) is a chemical compound with molecular formula C9H8O2S and molecular weight 180.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propa-1,2-dienylsulfonylbenzene
Also Known As: allenyl phenyl sulfone, (Phenylsulfonyl)allene, Phenylpropadienyl sulfone, 1-(Phenylsulfonyl)allene, (1,2-Propadienylsulphonyl)benzene
| Molecular Formula | C9H8O2S |
|---|---|
| Molecular Weight | 180.02 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.0245 |
| Heavy Atoms | 12 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 2525-42-0 |
|---|---|
| SMILES | C=C=CS(=O)(=O)C1=CC=CC=C1 |
| InChIKey | PVMCSDIRNOOAJI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1,2-Propadienylsulphonyl)benzene (CAS 2525-42-0), with molecular formula C9H8O2S and molecular weight 180.02 g/mol. IUPAC: propa-1,2-dienylsulfonylbenzene.
Chemical Property Profile of (1,2-Propadienylsulphonyl)benzene
Property Insights of (1,2-Propadienylsulphonyl)benzene
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,2-Propadienylsulphonyl)benzene. With a topological polar surface area (TPSA) of 42.5 Ų, (1,2-Propadienylsulphonyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,2-Propadienylsulphonyl)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 (1,2-Propadienylsulphonyl)benzene?
The CAS number of (1,2-Propadienylsulphonyl)benzene is 2525-42-0.
What is the molecular formula of (1,2-Propadienylsulphonyl)benzene?
The molecular formula of (1,2-Propadienylsulphonyl)benzene is C9H8O2S.
What is the molecular weight of (1,2-Propadienylsulphonyl)benzene?
The molecular weight of (1,2-Propadienylsulphonyl)benzene is 180.02 g/mol.
Where can I buy (1,2-Propadienylsulphonyl)benzene?
You can request a quote for (1,2-Propadienylsulphonyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,2-Propadienylsulphonyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (1,2-Propadienylsulphonyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.