硫氰酸4-甲基-2-硝基苯酯
TL;DR: 硫氰酸4-甲基-2-硝基苯酯 (CAS 71215-88-8) is a chemical compound with molecular formula C8H6N2O2S and molecular weight 194.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫氰酸4-甲基-2-硝基苯酯
(4-methyl-2-nitrophenyl) thiocyanate
Also Known As: 4-Methyl-2-nitrophenylthiocyanate, 4-methyl-2-nitrophenyl thiocyanate, 3-nitro-4-thiocyanatotoluene, Thiocyanic acid, 4-methyl-2-nitrophenyl ester, (4-methyl-2-nitrophenyl) thiocyanate
| Molecular Formula | C8H6N2O2S |
|---|---|
| Molecular Weight | 194.01 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.015 |
| Heavy Atoms | 13 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 71215-88-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)SC#N)[N+](=O)[O-] |
| InChIKey | FOUCYKKDWSELGL-UHFFFAOYSA-N |
Product Overview
硫氰酸4-甲基-2-硝基苯酯 (CAS 71215-88-8), with molecular formula C8H6N2O2S and molecular weight 194.01 g/mol. IUPAC: (4-methyl-2-nitrophenyl) thiocyanate.
Chemical Property Profile of 硫氰酸4-甲基-2-硝基苯酯
Property Insights of 硫氰酸4-甲基-2-硝基苯酯
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硫氰酸4-甲基-2-硝基苯酯. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 硫氰酸4-甲基-2-硝基苯酯. Following Lipinski's Rule of Five, 硫氰酸4-甲基-2-硝基苯酯 has 0 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 硫氰酸4-甲基-2-硝基苯酯?
The CAS number of 硫氰酸4-甲基-2-硝基苯酯 is 71215-88-8.
What is the molecular formula of 硫氰酸4-甲基-2-硝基苯酯?
The molecular formula of 硫氰酸4-甲基-2-硝基苯酯 is C8H6N2O2S.
What is the molecular weight of 硫氰酸4-甲基-2-硝基苯酯?
The molecular weight of 硫氰酸4-甲基-2-硝基苯酯 is 194.01 g/mol.
Where can I buy 硫氰酸4-甲基-2-硝基苯酯?
You can request a quote for 硫氰酸4-甲基-2-硝基苯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫氰酸4-甲基-2-硝基苯酯?
Yes, KEHONG BIO provides custom synthesis services for 硫氰酸4-甲基-2-硝基苯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.