3-Methylbuta-1,3-dienylsulfinylbenzene
TL;DR: 3-Methylbuta-1,3-dienylsulfinylbenzene (CAS 79998-82-6) is a chemical compound with molecular formula C11H12OS and molecular weight 192.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbuta-1,3-dienylsulfinylbenzene
Also Known As: 3-methylbuta-1,3-dienylsulfinylbenzene, [(1E)-3-methylbuta-1,3-dienyl]sulfinylbenzene
| Molecular Formula | C11H12OS |
|---|---|
| Molecular Weight | 192.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.06088 |
| Heavy Atoms | 13 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 79998-82-6 |
|---|---|
| SMILES | CC(=C)C=CS(=O)C1=CC=CC=C1 |
| InChIKey | KPAFHARRCDLGAI-UHFFFAOYSA-N |
Product Overview
3-Methylbuta-1,3-dienylsulfinylbenzene (CAS 79998-82-6), with molecular formula C11H12OS and molecular weight 192.06 g/mol. IUPAC: 3-methylbuta-1,3-dienylsulfinylbenzene.
Chemical Property Profile of 3-Methylbuta-1,3-dienylsulfinylbenzene
Property Insights of 3-Methylbuta-1,3-dienylsulfinylbenzene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylbuta-1,3-dienylsulfinylbenzene. With a topological polar surface area (TPSA) of 36.3 Ų, 3-Methylbuta-1,3-dienylsulfinylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylbuta-1,3-dienylsulfinylbenzene 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-Methylbuta-1,3-dienylsulfinylbenzene?
The CAS number of 3-Methylbuta-1,3-dienylsulfinylbenzene is 79998-82-6.
What is the molecular formula of 3-Methylbuta-1,3-dienylsulfinylbenzene?
The molecular formula of 3-Methylbuta-1,3-dienylsulfinylbenzene is C11H12OS.
What is the molecular weight of 3-Methylbuta-1,3-dienylsulfinylbenzene?
The molecular weight of 3-Methylbuta-1,3-dienylsulfinylbenzene is 192.06 g/mol.
Where can I buy 3-Methylbuta-1,3-dienylsulfinylbenzene?
You can request a quote for 3-Methylbuta-1,3-dienylsulfinylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylbuta-1,3-dienylsulfinylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylbuta-1,3-dienylsulfinylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.