![Benzene, [[(1,1-dimethylethyl)thio]methyl]- structure](/static/products/7417/7417-73-4.webp)
Benzene, [[(1,1-dimethylethyl)thio]methyl]-
TL;DR: Benzene, [[(1,1-dimethylethyl)thio]methyl]- (CAS 7417-73-4) 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.
tert-butylsulfanylmethylbenzene
Also Known As: benzene, Benzyl tert-butyl sulfide, tert-butylsulfanylmethylbenzene, benzyl t-butyl sulfide, Benzyl(tert-butyl)sulfane
| Molecular Formula | C11H16S |
|---|---|
| Molecular Weight | 180.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.09727 |
| Heavy Atoms | 12 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 7417-73-4 |
|---|---|
| SMILES | CC(C)(C)SCC1=CC=CC=C1 |
| InChIKey | HDIIUAPZHHLGMR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, [[(1,1-dimethylethyl)thio]methyl]- (CAS 7417-73-4), with molecular formula C11H16S and molecular weight 180.10 g/mol. IUPAC: tert-butylsulfanylmethylbenzene.
Chemical Property Profile of Benzene, [[(1,1-dimethylethyl)thio]methyl]-
Property Insights of Benzene, [[(1,1-dimethylethyl)thio]methyl]-
The XLogP value of 3.4 indicates that Benzene, [[(1,1-dimethylethyl)thio]methyl]- 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, [[(1,1-dimethylethyl)thio]methyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, [[(1,1-dimethylethyl)thio]methyl]- 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, [[(1,1-dimethylethyl)thio]methyl]-?
The CAS number of Benzene, [[(1,1-dimethylethyl)thio]methyl]- is 7417-73-4.
What is the molecular formula of Benzene, [[(1,1-dimethylethyl)thio]methyl]-?
The molecular formula of Benzene, [[(1,1-dimethylethyl)thio]methyl]- is C11H16S.
What is the molecular weight of Benzene, [[(1,1-dimethylethyl)thio]methyl]-?
The molecular weight of Benzene, [[(1,1-dimethylethyl)thio]methyl]- is 180.10 g/mol.
Where can I buy Benzene, [[(1,1-dimethylethyl)thio]methyl]-?
You can request a quote for Benzene, [[(1,1-dimethylethyl)thio]methyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, [[(1,1-dimethylethyl)thio]methyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, [[(1,1-dimethylethyl)thio]methyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.