Benzene, 1-methyl-2-((1-methylethyl)thio)-
TL;DR: Benzene, 1-methyl-2-((1-methylethyl)thio)- (CAS 15560-98-2) is a chemical compound with molecular formula C10H14S and molecular weight 166.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-propan-2-ylsulfanylbenzene
Also Known As: Sulfide, isopropyl o-tolyl, isopropyl tolyl sulfide, Isopropyl o-cresyl sulfide, Isopropyl-o-tolyl-sulfid, isopropyl(o-tolyl)sulfane
| Molecular Formula | C10H14S |
|---|---|
| Molecular Weight | 166.08 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.08162 |
| Heavy Atoms | 11 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 15560-98-2 |
|---|---|
| SMILES | CC1=CC=CC=C1SC(C)C |
| InChIKey | GWAFSXIHXFHSRZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-methyl-2-((1-methylethyl)thio)- (CAS 15560-98-2), with molecular formula C10H14S and molecular weight 166.08 g/mol. IUPAC: 1-methyl-2-propan-2-ylsulfanylbenzene.
Chemical Property Profile of Benzene, 1-methyl-2-((1-methylethyl)thio)-
Property Insights of Benzene, 1-methyl-2-((1-methylethyl)thio)-
The XLogP value of 3.6 indicates that Benzene, 1-methyl-2-((1-methylethyl)thio)- 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, 1-methyl-2-((1-methylethyl)thio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-methyl-2-((1-methylethyl)thio)- 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, 1-methyl-2-((1-methylethyl)thio)-?
The CAS number of Benzene, 1-methyl-2-((1-methylethyl)thio)- is 15560-98-2.
What is the molecular formula of Benzene, 1-methyl-2-((1-methylethyl)thio)-?
The molecular formula of Benzene, 1-methyl-2-((1-methylethyl)thio)- is C10H14S.
What is the molecular weight of Benzene, 1-methyl-2-((1-methylethyl)thio)-?
The molecular weight of Benzene, 1-methyl-2-((1-methylethyl)thio)- is 166.08 g/mol.
Where can I buy Benzene, 1-methyl-2-((1-methylethyl)thio)-?
You can request a quote for Benzene, 1-methyl-2-((1-methylethyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-methyl-2-((1-methylethyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-methyl-2-((1-methylethyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.