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Ethanol, 2-[(4-methylphenyl)thio]-
TL;DR: Ethanol, 2-[(4-methylphenyl)thio]- (CAS 13290-16-9) is a chemical compound with molecular formula C9H12OS and molecular weight 168.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)sulfanylethanol
Also Known As: 2-(p-Tolylthio)-ethanol, 2-(p-Tolylthio)ethanol, Ethanol, 2-[(4-methylphenyl)thio]-, 2-(4-Tolylthio)ethanol, 2-(4-methylphenyl)sulfanylethanol
| Molecular Formula | C9H12OS |
|---|---|
| Molecular Weight | 168.06 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 | 168.06088 |
| Heavy Atoms | 11 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 13290-16-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCCO |
| InChIKey | KYCQIPSCAOIEKN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanol, 2-[(4-methylphenyl)thio]- (CAS 13290-16-9), with molecular formula C9H12OS and molecular weight 168.06 g/mol. IUPAC: 2-(4-methylphenyl)sulfanylethanol.
Chemical Property Profile of Ethanol, 2-[(4-methylphenyl)thio]-
Property Insights of Ethanol, 2-[(4-methylphenyl)thio]-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanol, 2-[(4-methylphenyl)thio]-. With a topological polar surface area (TPSA) of 45.5 Ų, Ethanol, 2-[(4-methylphenyl)thio]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanol, 2-[(4-methylphenyl)thio]- 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 Ethanol, 2-[(4-methylphenyl)thio]-?
The CAS number of Ethanol, 2-[(4-methylphenyl)thio]- is 13290-16-9.
What is the molecular formula of Ethanol, 2-[(4-methylphenyl)thio]-?
The molecular formula of Ethanol, 2-[(4-methylphenyl)thio]- is C9H12OS.
What is the molecular weight of Ethanol, 2-[(4-methylphenyl)thio]-?
The molecular weight of Ethanol, 2-[(4-methylphenyl)thio]- is 168.06 g/mol.
Where can I buy Ethanol, 2-[(4-methylphenyl)thio]-?
You can request a quote for Ethanol, 2-[(4-methylphenyl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanol, 2-[(4-methylphenyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for Ethanol, 2-[(4-methylphenyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.