![Ethanol, 2-[(4-nitrophenyl)thio]- structure](/static/products/1328/13287-76-8.webp)
Ethanol, 2-[(4-nitrophenyl)thio]-
TL;DR: Ethanol, 2-[(4-nitrophenyl)thio]- (CAS 13287-76-8) is a chemical compound with molecular formula C8H9NO3S and molecular weight 199.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)sulfanylethanol
Also Known As: 2-Hydroxyethyl 4-nitrophenyl sulfide, 2-((4-Nitrophenyl)thio)ethanol, Ethanol, 2-[(4-nitrophenyl)thio]-, 2-(4-nitrophenyl)sulfanylethanol, 2-[(4-Nitrophenyl)sulfanyl]ethanol
| Molecular Formula | C8H9NO3S |
|---|---|
| Molecular Weight | 199.03 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 91.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.03032 |
| Heavy Atoms | 13 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 13287-76-8 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])SCCO |
| InChIKey | RVYZERYSWJUUJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanol, 2-[(4-nitrophenyl)thio]- (CAS 13287-76-8), with molecular formula C8H9NO3S and molecular weight 199.03 g/mol. IUPAC: 2-(4-nitrophenyl)sulfanylethanol.
Chemical Property Profile of Ethanol, 2-[(4-nitrophenyl)thio]-
Property Insights of Ethanol, 2-[(4-nitrophenyl)thio]-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanol, 2-[(4-nitrophenyl)thio]-. The TPSA of 91.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanol, 2-[(4-nitrophenyl)thio]-. Following Lipinski's Rule of Five, Ethanol, 2-[(4-nitrophenyl)thio]- has 1 hydrogen bond donor(s) and 4 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-nitrophenyl)thio]-?
The CAS number of Ethanol, 2-[(4-nitrophenyl)thio]- is 13287-76-8.
What is the molecular formula of Ethanol, 2-[(4-nitrophenyl)thio]-?
The molecular formula of Ethanol, 2-[(4-nitrophenyl)thio]- is C8H9NO3S.
What is the molecular weight of Ethanol, 2-[(4-nitrophenyl)thio]-?
The molecular weight of Ethanol, 2-[(4-nitrophenyl)thio]- is 199.03 g/mol.
Where can I buy Ethanol, 2-[(4-nitrophenyl)thio]-?
You can request a quote for Ethanol, 2-[(4-nitrophenyl)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-nitrophenyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for Ethanol, 2-[(4-nitrophenyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.