硫氰酸4-氯-2-硝基苯酯
TL;DR: 硫氰酸4-氯-2-硝基苯酯 (CAS 6803-43-6) is a chemical compound with molecular formula C7H3ClN2O2S and molecular weight 213.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫氰酸4-氯-2-硝基苯酯
(4-chloro-2-nitrophenyl) thiocyanate
Also Known As: 4-Chloro-2-nitrophenylthiocyanate, 2-Nitro-4-chlor-phenyl-thiocyanat, Thiocyanic acid, 4-chloro-2-nitrophenyl ester, 2-Nitro-4-chlor-phenyl-thiocyanat [German], 4-chloro-2-nitrophenyl thiocyanate
| Molecular Formula | C7H3ClN2O2S |
|---|---|
| Molecular Weight | 213.96 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.96037 |
| Heavy Atoms | 13 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 6803-43-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)[N+](=O)[O-])SC#N |
| InChIKey | BLMPTCDTQNCFJU-UHFFFAOYSA-N |
Product Overview
硫氰酸4-氯-2-硝基苯酯 (CAS 6803-43-6), with molecular formula C7H3ClN2O2S and molecular weight 213.96 g/mol. IUPAC: (4-chloro-2-nitrophenyl) thiocyanate.
Chemical Property Profile of 硫氰酸4-氯-2-硝基苯酯
Property Insights of 硫氰酸4-氯-2-硝基苯酯
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硫氰酸4-氯-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-氯-2-硝基苯酯. Following Lipinski's Rule of Five, 硫氰酸4-氯-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-氯-2-硝基苯酯?
The CAS number of 硫氰酸4-氯-2-硝基苯酯 is 6803-43-6.
What is the molecular formula of 硫氰酸4-氯-2-硝基苯酯?
The molecular formula of 硫氰酸4-氯-2-硝基苯酯 is C7H3ClN2O2S.
What is the molecular weight of 硫氰酸4-氯-2-硝基苯酯?
The molecular weight of 硫氰酸4-氯-2-硝基苯酯 is 213.96 g/mol.
Where can I buy 硫氰酸4-氯-2-硝基苯酯?
You can request a quote for 硫氰酸4-氯-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-氯-2-硝基苯酯?
Yes, KEHONG BIO provides custom synthesis services for 硫氰酸4-氯-2-硝基苯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.