3-Nitro-4-thiocyanatoaniline
TL;DR: 3-Nitro-4-thiocyanatoaniline (CAS 23153-15-3) 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.
(4-amino-2-nitrophenyl) thiocyanate
Also Known As: 3-nitro-4-thiocyanatoaniline, 3-nitro-4-thiocyanato-aniline, 4-amino-2-nitrophenyl thiocyanate, (4-amino-2-nitrophenyl) thiocyanate, [(4-amino-2-nitrophenyl)sulfanyl]formonitrile
| Molecular Formula | C7H5N3O2S |
|---|---|
| Molecular Weight | 195.01 g/mol |
| LogP | 1.75018 |
| Topological Polar Surface Area | 92.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.01025 |
| Heavy Atoms | 13 |
| Complexity | 385.8143 |
Chemical Identifiers
| CAS Number | 23153-15-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1N)[N+](=O)[O-])SC#N |
Product Overview
3-Nitro-4-thiocyanatoaniline (CAS 23153-15-3), with molecular formula C7H5N3O2S and molecular weight 195.01 g/mol. IUPAC: (4-amino-2-nitrophenyl) thiocyanate.
Chemical Property Profile of 3-Nitro-4-thiocyanatoaniline
Property Insights of 3-Nitro-4-thiocyanatoaniline
The XLogP value of 1.75018 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitro-4-thiocyanatoaniline. The TPSA of 92.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-4-thiocyanatoaniline. Following Lipinski's Rule of Five, 3-Nitro-4-thiocyanatoaniline 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 3-Nitro-4-thiocyanatoaniline?
The CAS number of 3-Nitro-4-thiocyanatoaniline is 23153-15-3.
What is the molecular formula of 3-Nitro-4-thiocyanatoaniline?
The molecular formula of 3-Nitro-4-thiocyanatoaniline is C7H5N3O2S.
What is the molecular weight of 3-Nitro-4-thiocyanatoaniline?
The molecular weight of 3-Nitro-4-thiocyanatoaniline is 195.01 g/mol.
Where can I buy 3-Nitro-4-thiocyanatoaniline?
You can request a quote for 3-Nitro-4-thiocyanatoaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitro-4-thiocyanatoaniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-4-thiocyanatoaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.