1-(tert-Butylsulfanyl)-4-methylbenzene
TL;DR: 1-(tert-Butylsulfanyl)-4-methylbenzene (CAS 7439-10-3) 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.
1-tert-butylsulfanyl-4-methylbenzene
Also Known As: t-butyl-p-tolyl sulfide, Sulfide, tert-butyl p-tolyl, 1-(tert-Butylsulfanyl)-4-methylbenzene, tert-Butyl p-tolyl sulfide, tert-Butyl(p-tolyl) sulfide
| Molecular Formula | C11H16S |
|---|---|
| Molecular Weight | 180.10 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.09727 |
| Heavy Atoms | 12 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 7439-10-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC(C)(C)C |
| InChIKey | GPZPDHTYJTVKEO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(tert-Butylsulfanyl)-4-methylbenzene (CAS 7439-10-3), with molecular formula C11H16S and molecular weight 180.10 g/mol. IUPAC: 1-tert-butylsulfanyl-4-methylbenzene.
Chemical Property Profile of 1-(tert-Butylsulfanyl)-4-methylbenzene
Property Insights of 1-(tert-Butylsulfanyl)-4-methylbenzene
The XLogP value of 3.8 indicates that 1-(tert-Butylsulfanyl)-4-methylbenzene 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-(tert-Butylsulfanyl)-4-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(tert-Butylsulfanyl)-4-methylbenzene 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-(tert-Butylsulfanyl)-4-methylbenzene?
The CAS number of 1-(tert-Butylsulfanyl)-4-methylbenzene is 7439-10-3.
What is the molecular formula of 1-(tert-Butylsulfanyl)-4-methylbenzene?
The molecular formula of 1-(tert-Butylsulfanyl)-4-methylbenzene is C11H16S.
What is the molecular weight of 1-(tert-Butylsulfanyl)-4-methylbenzene?
The molecular weight of 1-(tert-Butylsulfanyl)-4-methylbenzene is 180.10 g/mol.
Where can I buy 1-(tert-Butylsulfanyl)-4-methylbenzene?
You can request a quote for 1-(tert-Butylsulfanyl)-4-methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(tert-Butylsulfanyl)-4-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(tert-Butylsulfanyl)-4-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.