Benzenethiol, 2-ethenyl-
TL;DR: Benzenethiol, 2-ethenyl- (CAS 89664-22-2) is a chemical compound with molecular formula C8H8S and molecular weight 136.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethenylbenzenethiol
Also Known As: vinyl thiophenol, 2-ethenylbenzenethiol, 2-Vinylbenzenethiol, Benzenethiol, 2-ethenyl-, 2-ethenylbenzene-1-thiol
| Molecular Formula | C8H8S |
|---|---|
| Molecular Weight | 136.03 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 136.03467 |
| Heavy Atoms | 9 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 89664-22-2 |
|---|---|
| SMILES | C=CC1=CC=CC=C1S |
| InChIKey | NADUDFSNHZPLIN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenethiol, 2-ethenyl- (CAS 89664-22-2), with molecular formula C8H8S and molecular weight 136.03 g/mol. IUPAC: 2-ethenylbenzenethiol.
Chemical Property Profile of Benzenethiol, 2-ethenyl-
Property Insights of Benzenethiol, 2-ethenyl-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenethiol, 2-ethenyl-. With a topological polar surface area (TPSA) of 1.0 Ų, Benzenethiol, 2-ethenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenethiol, 2-ethenyl- has 1 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 Benzenethiol, 2-ethenyl-?
The CAS number of Benzenethiol, 2-ethenyl- is 89664-22-2.
What is the molecular formula of Benzenethiol, 2-ethenyl-?
The molecular formula of Benzenethiol, 2-ethenyl- is C8H8S.
What is the molecular weight of Benzenethiol, 2-ethenyl-?
The molecular weight of Benzenethiol, 2-ethenyl- is 136.03 g/mol.
Where can I buy Benzenethiol, 2-ethenyl-?
You can request a quote for Benzenethiol, 2-ethenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenethiol, 2-ethenyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenethiol, 2-ethenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.