2,2-Dimethylpropoxysulfanylbenzene
TL;DR: 2,2-Dimethylpropoxysulfanylbenzene (CAS 61665-77-8) is a chemical compound with molecular formula C11H16OS and molecular weight 196.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylpropoxysulfanylbenzene
Also Known As: 2,2-dimethylpropoxysulfanylbenzene, [(2,2-Dimethylpropoxy)sulfanyl]benzene, benzenesulfenic acid 2,2-dimethyl-propyl ester
| Molecular Formula | C11H16OS |
|---|---|
| Molecular Weight | 196.09 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.0922 |
| Heavy Atoms | 13 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 61665-77-8 |
|---|---|
| SMILES | CC(C)(C)COSC1=CC=CC=C1 |
| InChIKey | GDCZOCAHTVDUTA-UHFFFAOYSA-N |
Product Overview
2,2-Dimethylpropoxysulfanylbenzene (CAS 61665-77-8), with molecular formula C11H16OS and molecular weight 196.09 g/mol. IUPAC: 2,2-dimethylpropoxysulfanylbenzene.
Chemical Property Profile of 2,2-Dimethylpropoxysulfanylbenzene
Property Insights of 2,2-Dimethylpropoxysulfanylbenzene
The XLogP value of 3.8 indicates that 2,2-Dimethylpropoxysulfanylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.5 Ų, 2,2-Dimethylpropoxysulfanylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethylpropoxysulfanylbenzene 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 2,2-Dimethylpropoxysulfanylbenzene?
The CAS number of 2,2-Dimethylpropoxysulfanylbenzene is 61665-77-8.
What is the molecular formula of 2,2-Dimethylpropoxysulfanylbenzene?
The molecular formula of 2,2-Dimethylpropoxysulfanylbenzene is C11H16OS.
What is the molecular weight of 2,2-Dimethylpropoxysulfanylbenzene?
The molecular weight of 2,2-Dimethylpropoxysulfanylbenzene is 196.09 g/mol.
Where can I buy 2,2-Dimethylpropoxysulfanylbenzene?
You can request a quote for 2,2-Dimethylpropoxysulfanylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethylpropoxysulfanylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethylpropoxysulfanylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.