![methyl N-[(4-nitrobenzoyl)amino]carbamodithioate structure](/static/products/874/87422-82-0.png)
methyl N-[(4-nitrobenzoyl)amino]carbamodithioate
TL;DR: methyl N-[(4-nitrobenzoyl)amino]carbamodithioate (CAS 87422-82-0) is a chemical compound with molecular formula C9H9N3O3S2 and molecular weight 271.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[(4-nitrobenzoyl)amino]carbamodithioate
Also Known As: methyl N-[(4-nitrobenzoyl)amino]carbamodithioate, Methyl 2-(4-nitrobenzoyl)hydrazine-1-carbodithioate, 4-nitrobenzoic acid 2-[(methylthio)thioxomethyl]hydrazide
| Molecular Formula | C9H9N3O3S2 |
|---|---|
| Molecular Weight | 271.01 g/mol |
| LogP | 1.4771 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.00854 |
| Heavy Atoms | 17 |
| Complexity | 447.30423 |
Chemical Identifiers
| CAS Number | 87422-82-0 |
|---|---|
| SMILES | CSC(=S)NNC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
methyl N-[(4-nitrobenzoyl)amino]carbamodithioate (CAS 87422-82-0), with molecular formula C9H9N3O3S2 and molecular weight 271.01 g/mol. IUPAC: methyl N-[(4-nitrobenzoyl)amino]carbamodithioate.
Chemical Property Profile of methyl N-[(4-nitrobenzoyl)amino]carbamodithioate
Property Insights of methyl N-[(4-nitrobenzoyl)amino]carbamodithioate
The XLogP value of 1.4771 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-[(4-nitrobenzoyl)amino]carbamodithioate. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-[(4-nitrobenzoyl)amino]carbamodithioate. Following Lipinski's Rule of Five, methyl N-[(4-nitrobenzoyl)amino]carbamodithioate has 2 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 methyl N-[(4-nitrobenzoyl)amino]carbamodithioate?
The CAS number of methyl N-[(4-nitrobenzoyl)amino]carbamodithioate is 87422-82-0.
What is the molecular formula of methyl N-[(4-nitrobenzoyl)amino]carbamodithioate?
The molecular formula of methyl N-[(4-nitrobenzoyl)amino]carbamodithioate is C9H9N3O3S2.
What is the molecular weight of methyl N-[(4-nitrobenzoyl)amino]carbamodithioate?
The molecular weight of methyl N-[(4-nitrobenzoyl)amino]carbamodithioate is 271.01 g/mol.
Where can I buy methyl N-[(4-nitrobenzoyl)amino]carbamodithioate?
You can request a quote for methyl N-[(4-nitrobenzoyl)amino]carbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-[(4-nitrobenzoyl)amino]carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-[(4-nitrobenzoyl)amino]carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.