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[(Phenylethynyl)sulfanyl]benzene
TL;DR: [(Phenylethynyl)sulfanyl]benzene (CAS 35460-31-2) is a chemical compound with molecular formula C14H10S and molecular weight 210.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethynylsulfanylbenzene
Also Known As: 2-phenylethynylsulfanylbenzene, [(phenylethynyl)sulfanyl]benzene, Phenylthioethynylbenzene, Phenylethynylphenyl sulfide, (Phenylethynyl)phenyl sulfide
| Molecular Formula | C14H10S |
|---|---|
| Molecular Weight | 210.05 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.05032 |
| Heavy Atoms | 15 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 35460-31-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CSC2=CC=CC=C2 |
| InChIKey | UUDMEJQLIBKUDR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[(Phenylethynyl)sulfanyl]benzene (CAS 35460-31-2), with molecular formula C14H10S and molecular weight 210.05 g/mol. IUPAC: 2-phenylethynylsulfanylbenzene.
Chemical Property Profile of [(Phenylethynyl)sulfanyl]benzene
Property Insights of [(Phenylethynyl)sulfanyl]benzene
The XLogP value of 4.6 indicates that [(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, [(Phenylethynyl)sulfanyl]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(Phenylethynyl)sulfanyl]benzene 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 [(Phenylethynyl)sulfanyl]benzene?
The CAS number of [(Phenylethynyl)sulfanyl]benzene is 35460-31-2.
What is the molecular formula of [(Phenylethynyl)sulfanyl]benzene?
The molecular formula of [(Phenylethynyl)sulfanyl]benzene is C14H10S.
What is the molecular weight of [(Phenylethynyl)sulfanyl]benzene?
The molecular weight of [(Phenylethynyl)sulfanyl]benzene is 210.05 g/mol.
Where can I buy [(Phenylethynyl)sulfanyl]benzene?
You can request a quote for [(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 [(Phenylethynyl)sulfanyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for [(Phenylethynyl)sulfanyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.