Propan-2-ylsulfinylbenzene
TL;DR: Propan-2-ylsulfinylbenzene (CAS 4170-69-8) is a chemical compound with molecular formula C9H12OS and molecular weight 168.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-ylsulfinylbenzene
Also Known As: propan-2-ylsulfinylbenzene, isopropyl phenyl sulfoxide, (isopropylsulfinyl)benzene, isopropylsulfinyl-benzene, 1-(Isopropylsulfinyl)benzene
| Molecular Formula | C9H12OS |
|---|---|
| Molecular Weight | 168.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.06088 |
| Heavy Atoms | 11 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 4170-69-8 |
|---|---|
| SMILES | CC(C)S(=O)C1=CC=CC=C1 |
| InChIKey | MNPISBRDBQCTAF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propan-2-ylsulfinylbenzene (CAS 4170-69-8), with molecular formula C9H12OS and molecular weight 168.06 g/mol. IUPAC: propan-2-ylsulfinylbenzene.
Chemical Property Profile of Propan-2-ylsulfinylbenzene
Property Insights of Propan-2-ylsulfinylbenzene
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propan-2-ylsulfinylbenzene. With a topological polar surface area (TPSA) of 36.3 Ų, Propan-2-ylsulfinylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propan-2-ylsulfinylbenzene 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 Propan-2-ylsulfinylbenzene?
The CAS number of Propan-2-ylsulfinylbenzene is 4170-69-8.
What is the molecular formula of Propan-2-ylsulfinylbenzene?
The molecular formula of Propan-2-ylsulfinylbenzene is C9H12OS.
What is the molecular weight of Propan-2-ylsulfinylbenzene?
The molecular weight of Propan-2-ylsulfinylbenzene is 168.06 g/mol.
Where can I buy Propan-2-ylsulfinylbenzene?
You can request a quote for Propan-2-ylsulfinylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-ylsulfinylbenzene?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-ylsulfinylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.