4-硝基苯基二甲基二硫代氨基甲酸酯
TL;DR: 4-硝基苯基二甲基二硫代氨基甲酸酯 (CAS 16913-63-6) is a chemical compound with molecular formula C9H10N2O2S2 and molecular weight 242.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-硝基苯基二甲基二硫代氨基甲酸酯
(4-nitrophenyl) N,N-dimethylcarbamodithioate
Also Known As: 4-Nitrophenyl dimethyldithiocarbamate, 4-nitrophenyl dimethylcarbamodithioate, NIOSH/FA0825000, (4-nitrophenyl) N,N-dimethylcarbamodithioate, p-Nitrophenyl dimethyldithiocarbamate
| Molecular Formula | C9H10N2O2S2 |
|---|---|
| Molecular Weight | 242.02 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.01837 |
| Heavy Atoms | 15 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 16913-63-6 |
|---|---|
| SMILES | CN(C)C(=S)SC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | BSPPFEBCCBLHGW-UHFFFAOYSA-N |
Product Overview
4-硝基苯基二甲基二硫代氨基甲酸酯 (CAS 16913-63-6), with molecular formula C9H10N2O2S2 and molecular weight 242.02 g/mol. IUPAC: (4-nitrophenyl) N,N-dimethylcarbamodithioate.
Chemical Property Profile of 4-硝基苯基二甲基二硫代氨基甲酸酯
Property Insights of 4-硝基苯基二甲基二硫代氨基甲酸酯
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-硝基苯基二甲基二硫代氨基甲酸酯. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-硝基苯基二甲基二硫代氨基甲酸酯. Following Lipinski's Rule of Five, 4-硝基苯基二甲基二硫代氨基甲酸酯 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 4-硝基苯基二甲基二硫代氨基甲酸酯?
The CAS number of 4-硝基苯基二甲基二硫代氨基甲酸酯 is 16913-63-6.
What is the molecular formula of 4-硝基苯基二甲基二硫代氨基甲酸酯?
The molecular formula of 4-硝基苯基二甲基二硫代氨基甲酸酯 is C9H10N2O2S2.
What is the molecular weight of 4-硝基苯基二甲基二硫代氨基甲酸酯?
The molecular weight of 4-硝基苯基二甲基二硫代氨基甲酸酯 is 242.02 g/mol.
Where can I buy 4-硝基苯基二甲基二硫代氨基甲酸酯?
You can request a quote for 4-硝基苯基二甲基二硫代氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-硝基苯基二甲基二硫代氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 4-硝基苯基二甲基二硫代氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.