2-((2,4,6-Trinitrophenyl)thio)ethanol
TL;DR: 2-((2,4,6-Trinitrophenyl)thio)ethanol (CAS 55548-91-9) is a chemical compound with molecular formula C8H7N3O7S and molecular weight 289.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4,6-trinitrophenyl)sulfanylethanol
Also Known As: 2-( ethanol, 2-Picrylmercapto-aethanol, 2-((2,4,6-TRINITROPHENYL)THIO)ETHANOL, 2-(2,4,6-trinitrophenyl)sulfanylethanol, 2-({2,4,6-trisnitrophenyl}sulfanyl)ethanol
| Molecular Formula | C8H7N3O7S |
|---|---|
| Molecular Weight | 289.00 g/mol |
| LogP | 1.4956 |
| Topological Polar Surface Area | 149.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 289.00046 |
| Heavy Atoms | 19 |
| Complexity | 512.1393 |
Chemical Identifiers
| CAS Number | 55548-91-9 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])SCCO)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2-((2,4,6-Trinitrophenyl)thio)ethanol (CAS 55548-91-9), with molecular formula C8H7N3O7S and molecular weight 289.00 g/mol. IUPAC: 2-(2,4,6-trinitrophenyl)sulfanylethanol.
Chemical Property Profile of 2-((2,4,6-Trinitrophenyl)thio)ethanol
Property Insights of 2-((2,4,6-Trinitrophenyl)thio)ethanol
The XLogP value of 1.4956 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((2,4,6-Trinitrophenyl)thio)ethanol. The TPSA of 149.65 Ų indicates high polarity, suggesting 2-((2,4,6-Trinitrophenyl)thio)ethanol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-((2,4,6-Trinitrophenyl)thio)ethanol has 1 hydrogen bond donor(s) and 8 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-((2,4,6-Trinitrophenyl)thio)ethanol?
The CAS number of 2-((2,4,6-Trinitrophenyl)thio)ethanol is 55548-91-9.
What is the molecular formula of 2-((2,4,6-Trinitrophenyl)thio)ethanol?
The molecular formula of 2-((2,4,6-Trinitrophenyl)thio)ethanol is C8H7N3O7S.
What is the molecular weight of 2-((2,4,6-Trinitrophenyl)thio)ethanol?
The molecular weight of 2-((2,4,6-Trinitrophenyl)thio)ethanol is 289.00 g/mol.
Where can I buy 2-((2,4,6-Trinitrophenyl)thio)ethanol?
You can request a quote for 2-((2,4,6-Trinitrophenyl)thio)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2,4,6-Trinitrophenyl)thio)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-((2,4,6-Trinitrophenyl)thio)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.