2-Methoxy-4-nitrophenyl thiocyanate
TL;DR: 2-Methoxy-4-nitrophenyl thiocyanate (CAS 90196-42-2) is a chemical compound with molecular formula C8H6N2O3S and molecular weight 210.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methoxy-4-nitrophenyl) thiocyanate
Also Known As: starbld0023193, 2-methoxy-4-nitrophenyl thiocyanate, 2-Methoxy-4-nitro-1-thiocyanatobenzene, (2-methoxy-4-nitrophenyl) thiocyanate, (2-methoxy-4-nitrophenyl)thiocarbonitrile
| Molecular Formula | C8H6N2O3S |
|---|---|
| Molecular Weight | 210.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.00992 |
| Heavy Atoms | 14 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 90196-42-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)[N+](=O)[O-])SC#N |
| InChIKey | JAPGQCBNQLEOQT-UHFFFAOYSA-N |
Product Overview
2-Methoxy-4-nitrophenyl thiocyanate (CAS 90196-42-2), with molecular formula C8H6N2O3S and molecular weight 210.01 g/mol. IUPAC: (2-methoxy-4-nitrophenyl) thiocyanate.
Chemical Property Profile of 2-Methoxy-4-nitrophenyl thiocyanate
Property Insights of 2-Methoxy-4-nitrophenyl thiocyanate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxy-4-nitrophenyl thiocyanate. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methoxy-4-nitrophenyl thiocyanate. Following Lipinski's Rule of Five, 2-Methoxy-4-nitrophenyl thiocyanate has 0 hydrogen bond donor(s) and 5 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-Methoxy-4-nitrophenyl thiocyanate?
The CAS number of 2-Methoxy-4-nitrophenyl thiocyanate is 90196-42-2.
What is the molecular formula of 2-Methoxy-4-nitrophenyl thiocyanate?
The molecular formula of 2-Methoxy-4-nitrophenyl thiocyanate is C8H6N2O3S.
What is the molecular weight of 2-Methoxy-4-nitrophenyl thiocyanate?
The molecular weight of 2-Methoxy-4-nitrophenyl thiocyanate is 210.01 g/mol.
Where can I buy 2-Methoxy-4-nitrophenyl thiocyanate?
You can request a quote for 2-Methoxy-4-nitrophenyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxy-4-nitrophenyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxy-4-nitrophenyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.