![Ethanol, 2-[(3,5-dinitrophenyl)thio]- structure](/static/products/1058/105897-13-0.webp)
Ethanol, 2-[(3,5-dinitrophenyl)thio]-
TL;DR: Ethanol, 2-[(3,5-dinitrophenyl)thio]- (CAS 105897-13-0) is a chemical compound with molecular formula C8H8N2O5S and molecular weight 244.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dinitrophenyl)sulfanylethanol
Also Known As: 2-(3,5-dinitrophenyl)sulfanylethanol, Ethanol, 2-[(3,5-dinitrophenyl)thio]-, ZERO/006183, 2-(3,5-dinitrophenylthio)ethan-1-ol, 4-amino-thiobenzoic acid S-methyl ester
| Molecular Formula | C8H8N2O5S |
|---|---|
| Molecular Weight | 244.02 g/mol |
| LogP | 1.5874 |
| Topological Polar Surface Area | 106.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 244.0154 |
| Heavy Atoms | 16 |
| Complexity | 390.63974 |
Chemical Identifiers
| CAS Number | 105897-13-0 |
|---|---|
| SMILES | C1=C(C=C(C=C1[N+](=O)[O-])SCCO)[N+](=O)[O-] |
Product Overview
Ethanol, 2-[(3,5-dinitrophenyl)thio]- (CAS 105897-13-0), with molecular formula C8H8N2O5S and molecular weight 244.02 g/mol. IUPAC: 2-(3,5-dinitrophenyl)sulfanylethanol.
Chemical Property Profile of Ethanol, 2-[(3,5-dinitrophenyl)thio]-
Property Insights of Ethanol, 2-[(3,5-dinitrophenyl)thio]-
The XLogP value of 1.5874 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanol, 2-[(3,5-dinitrophenyl)thio]-. The TPSA of 106.51 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanol, 2-[(3,5-dinitrophenyl)thio]-. Following Lipinski's Rule of Five, Ethanol, 2-[(3,5-dinitrophenyl)thio]- has 1 hydrogen bond donor(s) and 6 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-[(3,5-dinitrophenyl)thio]-?
The CAS number of Ethanol, 2-[(3,5-dinitrophenyl)thio]- is 105897-13-0.
What is the molecular formula of Ethanol, 2-[(3,5-dinitrophenyl)thio]-?
The molecular formula of Ethanol, 2-[(3,5-dinitrophenyl)thio]- is C8H8N2O5S.
What is the molecular weight of Ethanol, 2-[(3,5-dinitrophenyl)thio]-?
The molecular weight of Ethanol, 2-[(3,5-dinitrophenyl)thio]- is 244.02 g/mol.
Where can I buy Ethanol, 2-[(3,5-dinitrophenyl)thio]-?
You can request a quote for Ethanol, 2-[(3,5-dinitrophenyl)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-[(3,5-dinitrophenyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for Ethanol, 2-[(3,5-dinitrophenyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.