Benzene, (2-((1-methylethyl)thio)ethyl)-
TL;DR: Benzene, (2-((1-methylethyl)thio)ethyl)- (CAS 54576-42-0) is a chemical compound with molecular formula C11H16S and molecular weight 180.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propan-2-ylsulfanylethylbenzene
Also Known As: isopropyl(phenethyl)sulfane, Isopropyl(phenethyl) sulfide, 2-(1-Methylethylthio)ethylbenzene, Isopropyl (phenethyl) sulfide, 2-propan-2-ylsulfanylethylbenzene
| Molecular Formula | C11H16S |
|---|---|
| Molecular Weight | 180.10 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.09727 |
| Heavy Atoms | 12 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 54576-42-0 |
|---|---|
| SMILES | CC(C)SCCC1=CC=CC=C1 |
| InChIKey | MJLYFFRRKQGUDV-UHFFFAOYSA-N |
Product Overview
Benzene, (2-((1-methylethyl)thio)ethyl)- (CAS 54576-42-0), with molecular formula C11H16S and molecular weight 180.10 g/mol. IUPAC: 2-propan-2-ylsulfanylethylbenzene.
Chemical Property Profile of Benzene, (2-((1-methylethyl)thio)ethyl)-
Property Insights of Benzene, (2-((1-methylethyl)thio)ethyl)-
The XLogP value of 3.6 indicates that Benzene, (2-((1-methylethyl)thio)ethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Benzene, (2-((1-methylethyl)thio)ethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, (2-((1-methylethyl)thio)ethyl)- has 0 hydrogen bond donor(s) and 1 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 Benzene, (2-((1-methylethyl)thio)ethyl)-?
The CAS number of Benzene, (2-((1-methylethyl)thio)ethyl)- is 54576-42-0.
What is the molecular formula of Benzene, (2-((1-methylethyl)thio)ethyl)-?
The molecular formula of Benzene, (2-((1-methylethyl)thio)ethyl)- is C11H16S.
What is the molecular weight of Benzene, (2-((1-methylethyl)thio)ethyl)-?
The molecular weight of Benzene, (2-((1-methylethyl)thio)ethyl)- is 180.10 g/mol.
Where can I buy Benzene, (2-((1-methylethyl)thio)ethyl)-?
You can request a quote for Benzene, (2-((1-methylethyl)thio)ethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, (2-((1-methylethyl)thio)ethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, (2-((1-methylethyl)thio)ethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.