![1-Tert-butyl-4-[(phenylethynyl)sulfanyl]benzene structure](/static/products/939/93994-16-2.png)
1-Tert-butyl-4-[(phenylethynyl)sulfanyl]benzene
TL;DR: 1-Tert-butyl-4-[(phenylethynyl)sulfanyl]benzene (CAS 93994-16-2) is a chemical compound with molecular formula C18H18S and molecular weight 266.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-4-(2-phenylethynylsulfanyl)benzene
Also Known As: 1-tert-butyl-4-(2-phenylethynylsulfanyl)benzene, 1-tert-butyl-4-[(phenylethynyl)sulfanyl]benzene, (4-tert-Butylphenyl)(phenylethynyl) sulfide, J3.098.482J, 1-TERT-BUTYL-4-[(2-PHENYLETHYNYL)SULFANYL]BENZENE
| Molecular Formula | C18H18S |
|---|---|
| Molecular Weight | 266.11 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.1129 |
| Heavy Atoms | 19 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 93994-16-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)SC#CC2=CC=CC=C2 |
| InChIKey | BRGWMQJAUDWAFJ-UHFFFAOYSA-N |
Product Overview
1-Tert-butyl-4-[(phenylethynyl)sulfanyl]benzene (CAS 93994-16-2), with molecular formula C18H18S and molecular weight 266.11 g/mol. IUPAC: 1-tert-butyl-4-(2-phenylethynylsulfanyl)benzene.
Chemical Property Profile of 1-Tert-butyl-4-[(phenylethynyl)sulfanyl]benzene
Property Insights of 1-Tert-butyl-4-[(phenylethynyl)sulfanyl]benzene
The XLogP value of 6.3 indicates that 1-Tert-butyl-4-[(phenylethynyl)sulfanyl]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-Tert-butyl-4-[(phenylethynyl)sulfanyl]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Tert-butyl-4-[(phenylethynyl)sulfanyl]benzene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Tert-butyl-4-[(phenylethynyl)sulfanyl]benzene?
The CAS number of 1-Tert-butyl-4-[(phenylethynyl)sulfanyl]benzene is 93994-16-2.
What is the molecular formula of 1-Tert-butyl-4-[(phenylethynyl)sulfanyl]benzene?
The molecular formula of 1-Tert-butyl-4-[(phenylethynyl)sulfanyl]benzene is C18H18S.
What is the molecular weight of 1-Tert-butyl-4-[(phenylethynyl)sulfanyl]benzene?
The molecular weight of 1-Tert-butyl-4-[(phenylethynyl)sulfanyl]benzene is 266.11 g/mol.
Where can I buy 1-Tert-butyl-4-[(phenylethynyl)sulfanyl]benzene?
You can request a quote for 1-Tert-butyl-4-[(phenylethynyl)sulfanyl]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Tert-butyl-4-[(phenylethynyl)sulfanyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Tert-butyl-4-[(phenylethynyl)sulfanyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.