2-(Phenylthio)ethanol
TL;DR: 2-(Phenylthio)ethanol (CAS 699-12-7) is a chemical compound with molecular formula C8H10OS and molecular weight 154.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylsulfanylethanol
Also Known As: 2-(Phenylthio)ethanol, 2-phenylsulfanylethanol, Phenylthioethanol, 2-Phenylmercaptoethanol, Ethanol, 2-(phenylthio)-
| Molecular Formula | C8H10OS |
|---|---|
| Molecular Weight | 154.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 154.04524 |
| Heavy Atoms | 10 |
| Complexity | 79.0 |
Chemical Identifiers
| CAS Number | 699-12-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCCO |
| InChIKey | KWWZHCSQVRVQGF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Phenylthio)ethanol (CAS 699-12-7), with molecular formula C8H10OS and molecular weight 154.05 g/mol. IUPAC: 2-phenylsulfanylethanol.
Chemical Property Profile of 2-(Phenylthio)ethanol
Property Insights of 2-(Phenylthio)ethanol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Phenylthio)ethanol. With a topological polar surface area (TPSA) of 45.5 Ų, 2-(Phenylthio)ethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Phenylthio)ethanol has 1 hydrogen bond donor(s) and 2 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-(Phenylthio)ethanol?
The CAS number of 2-(Phenylthio)ethanol is 699-12-7.
What is the molecular formula of 2-(Phenylthio)ethanol?
The molecular formula of 2-(Phenylthio)ethanol is C8H10OS.
What is the molecular weight of 2-(Phenylthio)ethanol?
The molecular weight of 2-(Phenylthio)ethanol is 154.05 g/mol.
Where can I buy 2-(Phenylthio)ethanol?
You can request a quote for 2-(Phenylthio)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Phenylthio)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-(Phenylthio)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.