Thiocyanic acid, 2-amino-5-nitrophenyl ester
TL;DR: Thiocyanic acid, 2-amino-5-nitrophenyl ester (CAS 68310-01-0) is a chemical compound with molecular formula C7H5N3O2S and molecular weight 195.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-amino-5-nitrophenyl) thiocyanate
Also Known As: 2-Amino-5-nitrophenyl thiocyanate, 2-amino-5-nitrophenylthiocyanate, (2-amino-5-nitrophenyl) thiocyanate, Thiocyanic acid, 2-amino-5-nitrophenyl ester, THIOCYANIC ACID 2-AMINO-5-NITROPHENYL ESTER
| Molecular Formula | C7H5N3O2S |
|---|---|
| Molecular Weight | 195.01 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.01025 |
| Heavy Atoms | 13 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 68310-01-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])SC#N)N |
| InChIKey | WDFILKFJEJDOEV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiocyanic acid, 2-amino-5-nitrophenyl ester (CAS 68310-01-0), with molecular formula C7H5N3O2S and molecular weight 195.01 g/mol. IUPAC: (2-amino-5-nitrophenyl) thiocyanate.
Chemical Property Profile of Thiocyanic acid, 2-amino-5-nitrophenyl ester
Property Insights of Thiocyanic acid, 2-amino-5-nitrophenyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiocyanic acid, 2-amino-5-nitrophenyl ester. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiocyanic acid, 2-amino-5-nitrophenyl ester. Following Lipinski's Rule of Five, Thiocyanic acid, 2-amino-5-nitrophenyl ester has 1 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 Thiocyanic acid, 2-amino-5-nitrophenyl ester?
The CAS number of Thiocyanic acid, 2-amino-5-nitrophenyl ester is 68310-01-0.
What is the molecular formula of Thiocyanic acid, 2-amino-5-nitrophenyl ester?
The molecular formula of Thiocyanic acid, 2-amino-5-nitrophenyl ester is C7H5N3O2S.
What is the molecular weight of Thiocyanic acid, 2-amino-5-nitrophenyl ester?
The molecular weight of Thiocyanic acid, 2-amino-5-nitrophenyl ester is 195.01 g/mol.
Where can I buy Thiocyanic acid, 2-amino-5-nitrophenyl ester?
You can request a quote for Thiocyanic acid, 2-amino-5-nitrophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocyanic acid, 2-amino-5-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Thiocyanic acid, 2-amino-5-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.