(2,4-dinitrophenyl) N,N-diphenylcarbamodithioate
TL;DR: (2,4-dinitrophenyl) N,N-diphenylcarbamodithioate (CAS 3110-42-7) is a chemical compound with molecular formula C19H13N3O4S2 and molecular weight 411.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dinitrophenyl) N,N-diphenylcarbamodithioate
Also Known As: 2,4-dinitrophenyl diphenylcarbamodithioate, (2,4-dinitrophenyl) N,N-diphenylcarbamodithioate, Carbamic acid, 2,4-dinitrophenyl ester, 2,4-dinitrophenyl-N,N-diphenylcarbamodithioate, Carbamic acid,diphenyldithio-, 2,4-dinitrophenyl ester (8CI)
| Molecular Formula | C19H13N3O4S2 |
|---|---|
| Molecular Weight | 411.03 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.03476 |
| Heavy Atoms | 28 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 3110-42-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=S)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | IBZKHOCHQLLEIC-UHFFFAOYSA-N |
Product Overview
(2,4-dinitrophenyl) N,N-diphenylcarbamodithioate (CAS 3110-42-7), with molecular formula C19H13N3O4S2 and molecular weight 411.03 g/mol. IUPAC: (2,4-dinitrophenyl) N,N-diphenylcarbamodithioate.
Chemical Property Profile of (2,4-dinitrophenyl) N,N-diphenylcarbamodithioate
Property Insights of (2,4-dinitrophenyl) N,N-diphenylcarbamodithioate
The XLogP value of 5.6 indicates that (2,4-dinitrophenyl) N,N-diphenylcarbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.0 Ų indicates high polarity, suggesting (2,4-dinitrophenyl) N,N-diphenylcarbamodithioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2,4-dinitrophenyl) N,N-diphenylcarbamodithioate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2,4-dinitrophenyl) N,N-diphenylcarbamodithioate?
The CAS number of (2,4-dinitrophenyl) N,N-diphenylcarbamodithioate is 3110-42-7.
What is the molecular formula of (2,4-dinitrophenyl) N,N-diphenylcarbamodithioate?
The molecular formula of (2,4-dinitrophenyl) N,N-diphenylcarbamodithioate is C19H13N3O4S2.
What is the molecular weight of (2,4-dinitrophenyl) N,N-diphenylcarbamodithioate?
The molecular weight of (2,4-dinitrophenyl) N,N-diphenylcarbamodithioate is 411.03 g/mol.
Where can I buy (2,4-dinitrophenyl) N,N-diphenylcarbamodithioate?
You can request a quote for (2,4-dinitrophenyl) N,N-diphenylcarbamodithioate 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) N,N-diphenylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for (2,4-dinitrophenyl) N,N-diphenylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.