4-Tert-butylphenyl methyl sulfide
TL;DR: 4-Tert-butylphenyl methyl sulfide (CAS 7252-86-0) 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.
1-tert-butyl-4-methylsulfanylbenzene
Also Known As: 4-tert-Butylphenyl methyl sulfide, 1-tert-butyl-4-methylsulfanylbenzene, Benzene,1- -4-, Benzene, 1-(1,1-dimethylethyl)-4-(methylthio)-, p-t-butylphenyl methyl sulfide
| Molecular Formula | C11H16S |
|---|---|
| Molecular Weight | 180.10 g/mol |
| LogP | 4.2 |
| 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 | 7252-86-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)SC |
| InChIKey | JNMLIYFMOVEXEV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Tert-butylphenyl methyl sulfide (CAS 7252-86-0), with molecular formula C11H16S and molecular weight 180.10 g/mol. IUPAC: 1-tert-butyl-4-methylsulfanylbenzene.
Chemical Property Profile of 4-Tert-butylphenyl methyl sulfide
Property Insights of 4-Tert-butylphenyl methyl sulfide
The XLogP value of 4.2 indicates that 4-Tert-butylphenyl methyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 4-Tert-butylphenyl methyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Tert-butylphenyl methyl sulfide 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 4-Tert-butylphenyl methyl sulfide?
The CAS number of 4-Tert-butylphenyl methyl sulfide is 7252-86-0.
What is the molecular formula of 4-Tert-butylphenyl methyl sulfide?
The molecular formula of 4-Tert-butylphenyl methyl sulfide is C11H16S.
What is the molecular weight of 4-Tert-butylphenyl methyl sulfide?
The molecular weight of 4-Tert-butylphenyl methyl sulfide is 180.10 g/mol.
Where can I buy 4-Tert-butylphenyl methyl sulfide?
You can request a quote for 4-Tert-butylphenyl methyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Tert-butylphenyl methyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-Tert-butylphenyl methyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.