2,4-Dinitrophenyl dimethyldithiocarbamate
TL;DR: 2,4-Dinitrophenyl dimethyldithiocarbamate (CAS 89-37-2) is a chemical compound with molecular formula C9H9N3O4S2 and molecular weight 287.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dinitrophenyl) N,N-dimethylcarbamodithioate
Also Known As: USAF SN-31, 2,4-Dinitrophenyl dimethyldithiocarbamate, A 331440 dihydrochloride, 2,4-dinitrophenyl dimethylcarbamodithioate, 2,4-Dinitrophenyl-dimethyl-dithiocarbamate
| Molecular Formula | C9H9N3O4S2 |
|---|---|
| Molecular Weight | 287.00 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.00345 |
| Heavy Atoms | 18 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 89-37-2 |
|---|---|
| SMILES | CN(C)C(=S)SC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | AIWZJEMZVHJAQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dinitrophenyl dimethyldithiocarbamate (CAS 89-37-2), with molecular formula C9H9N3O4S2 and molecular weight 287.00 g/mol. IUPAC: (2,4-dinitrophenyl) N,N-dimethylcarbamodithioate.
Chemical Property Profile of 2,4-Dinitrophenyl dimethyldithiocarbamate
Property Insights of 2,4-Dinitrophenyl dimethyldithiocarbamate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dinitrophenyl dimethyldithiocarbamate. The TPSA of 152.0 Ų indicates high polarity, suggesting 2,4-Dinitrophenyl dimethyldithiocarbamate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4-Dinitrophenyl dimethyldithiocarbamate has 0 hydrogen bond donor(s) and 6 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 2,4-Dinitrophenyl dimethyldithiocarbamate?
The CAS number of 2,4-Dinitrophenyl dimethyldithiocarbamate is 89-37-2.
What is the molecular formula of 2,4-Dinitrophenyl dimethyldithiocarbamate?
The molecular formula of 2,4-Dinitrophenyl dimethyldithiocarbamate is C9H9N3O4S2.
What is the molecular weight of 2,4-Dinitrophenyl dimethyldithiocarbamate?
The molecular weight of 2,4-Dinitrophenyl dimethyldithiocarbamate is 287.00 g/mol.
Where can I buy 2,4-Dinitrophenyl dimethyldithiocarbamate?
You can request a quote for 2,4-Dinitrophenyl dimethyldithiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dinitrophenyl dimethyldithiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dinitrophenyl dimethyldithiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.