2-Propan-2-ylsulfanylethynylbenzene
TL;DR: 2-Propan-2-ylsulfanylethynylbenzene (CAS 92117-27-6) is a chemical compound with molecular formula C11H12S and molecular weight 176.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propan-2-ylsulfanylethynylbenzene
Also Known As: 2-propan-2-ylsulfanylethynylbenzene, [(propan-2-ylsulfanyl)ethynyl]benzene, 1-Phenyl-2-isopropylbenzimidazol, KST-1A8912, isopropyl (2-phenylethynyl) sulfide
| Molecular Formula | C11H12S |
|---|---|
| Molecular Weight | 176.07 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.06598 |
| Heavy Atoms | 12 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 92117-27-6 |
|---|---|
| SMILES | CC(C)SC#CC1=CC=CC=C1 |
| InChIKey | KIOAMNASOMVPPZ-UHFFFAOYSA-N |
Product Overview
2-Propan-2-ylsulfanylethynylbenzene (CAS 92117-27-6), with molecular formula C11H12S and molecular weight 176.07 g/mol. IUPAC: 2-propan-2-ylsulfanylethynylbenzene.
Chemical Property Profile of 2-Propan-2-ylsulfanylethynylbenzene
Property Insights of 2-Propan-2-ylsulfanylethynylbenzene
The XLogP value of 3.8 indicates that 2-Propan-2-ylsulfanylethynylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 2-Propan-2-ylsulfanylethynylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propan-2-ylsulfanylethynylbenzene 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 2-Propan-2-ylsulfanylethynylbenzene?
The CAS number of 2-Propan-2-ylsulfanylethynylbenzene is 92117-27-6.
What is the molecular formula of 2-Propan-2-ylsulfanylethynylbenzene?
The molecular formula of 2-Propan-2-ylsulfanylethynylbenzene is C11H12S.
What is the molecular weight of 2-Propan-2-ylsulfanylethynylbenzene?
The molecular weight of 2-Propan-2-ylsulfanylethynylbenzene is 176.07 g/mol.
Where can I buy 2-Propan-2-ylsulfanylethynylbenzene?
You can request a quote for 2-Propan-2-ylsulfanylethynylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propan-2-ylsulfanylethynylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Propan-2-ylsulfanylethynylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.