((1-Methylethyl)thio)benzene
TL;DR: ((1-Methylethyl)thio)benzene (CAS 3019-20-3) is a chemical compound with molecular formula C9H12S and molecular weight 152.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-ylsulfanylbenzene
Also Known As: Isopropylthiobenzene, (Isopropylthio)benzene, Isopropyl phenyl sulfide, Isopropyl phenyl sulphide, Propan-2-ylsulfanylbenzene
| Molecular Formula | C9H12S |
|---|---|
| Molecular Weight | 152.07 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 152.06598 |
| Heavy Atoms | 10 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 3019-20-3 |
|---|---|
| SMILES | CC(C)SC1=CC=CC=C1 |
| InChIKey | SNOAHAUUBQMVGW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
((1-Methylethyl)thio)benzene (CAS 3019-20-3), with molecular formula C9H12S and molecular weight 152.07 g/mol. IUPAC: propan-2-ylsulfanylbenzene.
Chemical Property Profile of ((1-Methylethyl)thio)benzene
Property Insights of ((1-Methylethyl)thio)benzene
The XLogP value of 3.5 indicates that ((1-Methylethyl)thio)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, ((1-Methylethyl)thio)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ((1-Methylethyl)thio)benzene 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 ((1-Methylethyl)thio)benzene?
The CAS number of ((1-Methylethyl)thio)benzene is 3019-20-3.
What is the molecular formula of ((1-Methylethyl)thio)benzene?
The molecular formula of ((1-Methylethyl)thio)benzene is C9H12S.
What is the molecular weight of ((1-Methylethyl)thio)benzene?
The molecular weight of ((1-Methylethyl)thio)benzene is 152.07 g/mol.
Where can I buy ((1-Methylethyl)thio)benzene?
You can request a quote for ((1-Methylethyl)thio)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((1-Methylethyl)thio)benzene?
Yes, KEHONG BIO provides custom synthesis services for ((1-Methylethyl)thio)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.