(2,4-Dinitrophenyl) piperidine-1-carbodithioate
TL;DR: (2,4-Dinitrophenyl) piperidine-1-carbodithioate (CAS 897-73-4) is a chemical compound with molecular formula C12H13N3O4S2 and molecular weight 327.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dinitrophenyl) piperidine-1-carbodithioate
Also Known As: (2,4-dinitrophenyl) piperidine-1-carbodithioate, 2,4-dinitrophenyl piperidine-1-carbodithioate
| Molecular Formula | C12H13N3O4S2 |
|---|---|
| Molecular Weight | 327.03 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.03476 |
| Heavy Atoms | 21 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 897-73-4 |
|---|---|
| SMILES | C1CCN(CC1)C(=S)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | WGHMTMZWAILAPJ-UHFFFAOYSA-N |
Product Overview
(2,4-Dinitrophenyl) piperidine-1-carbodithioate (CAS 897-73-4), with molecular formula C12H13N3O4S2 and molecular weight 327.03 g/mol. IUPAC: (2,4-dinitrophenyl) piperidine-1-carbodithioate.
Chemical Property Profile of (2,4-Dinitrophenyl) piperidine-1-carbodithioate
Property Insights of (2,4-Dinitrophenyl) piperidine-1-carbodithioate
The XLogP value of 3.3 indicates that (2,4-Dinitrophenyl) piperidine-1-carbodithioate 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) piperidine-1-carbodithioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2,4-Dinitrophenyl) piperidine-1-carbodithioate 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) piperidine-1-carbodithioate?
The CAS number of (2,4-Dinitrophenyl) piperidine-1-carbodithioate is 897-73-4.
What is the molecular formula of (2,4-Dinitrophenyl) piperidine-1-carbodithioate?
The molecular formula of (2,4-Dinitrophenyl) piperidine-1-carbodithioate is C12H13N3O4S2.
What is the molecular weight of (2,4-Dinitrophenyl) piperidine-1-carbodithioate?
The molecular weight of (2,4-Dinitrophenyl) piperidine-1-carbodithioate is 327.03 g/mol.
Where can I buy (2,4-Dinitrophenyl) piperidine-1-carbodithioate?
You can request a quote for (2,4-Dinitrophenyl) piperidine-1-carbodithioate 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) piperidine-1-carbodithioate?
Yes, KEHONG BIO provides custom synthesis services for (2,4-Dinitrophenyl) piperidine-1-carbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.