3-nitro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)benzenecarboxamide
TL;DR: 3-nitro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)benzenecarboxamide (CAS 477866-95-8) is a chemical compound with molecular formula C9H5N3O3S3 and molecular weight 298.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)benzamide
Also Known As: 1L-558S, 3-nitro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)benzenecarboxamide, 3-nitro-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)benzamide, 3-nitro-N-(3-sulfanylidene-3H-1,2,4-dithiazol-5-yl)benzamide
| Molecular Formula | C9H5N3O3S3 |
|---|---|
| Molecular Weight | 298.95 g/mol |
| LogP | 3.09459 |
| Topological Polar Surface Area | 85.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.9493 |
| Heavy Atoms | 18 |
| Complexity | 664.07263 |
Chemical Identifiers
| CAS Number | 477866-95-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=NC(=S)SS2 |
Product Overview
3-nitro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)benzenecarboxamide (CAS 477866-95-8), with molecular formula C9H5N3O3S3 and molecular weight 298.95 g/mol. IUPAC: 3-nitro-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)benzamide.
Chemical Property Profile of 3-nitro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)benzenecarboxamide
Property Insights of 3-nitro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)benzenecarboxamide
The XLogP value of 3.09459 indicates that 3-nitro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)benzenecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-nitro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)benzenecarboxamide. Following Lipinski's Rule of Five, 3-nitro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)benzenecarboxamide has 1 hydrogen bond donor(s) and 7 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-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)benzenecarboxamide?
The CAS number of 3-nitro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)benzenecarboxamide is 477866-95-8.
What is the molecular formula of 3-nitro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)benzenecarboxamide?
The molecular formula of 3-nitro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)benzenecarboxamide is C9H5N3O3S3.
What is the molecular weight of 3-nitro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)benzenecarboxamide?
The molecular weight of 3-nitro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)benzenecarboxamide is 298.95 g/mol.
Where can I buy 3-nitro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)benzenecarboxamide?
You can request a quote for 3-nitro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)benzenecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-nitro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)benzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-nitro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)benzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.