4-(Aminocarbonyl)-1-piperidinecarbodithioic acid
TL;DR: 4-(Aminocarbonyl)-1-piperidinecarbodithioic acid (CAS 95480-31-2) is a chemical compound with molecular formula C7H12N2OS2 and molecular weight 204.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-carbamoylpiperidine-1-carbodithioic acid
Also Known As: Inadtc, Cap-N-dtc, 4-Carboxamidopiperidine-N-dithiocarboxylate, 4-Carboxamidopiperidinedithiocarbamate, Sodium isonipecotamide dithiocarbamate
| Molecular Formula | C7H12N2OS2 |
|---|---|
| Molecular Weight | 204.04 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 79.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.03911 |
| Heavy Atoms | 12 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 95480-31-2 |
|---|---|
| SMILES | C1CN(CCC1C(=O)N)C(=S)S |
| InChIKey | FWNLWTVFLHALPX-UHFFFAOYSA-N |
Product Overview
4-(Aminocarbonyl)-1-piperidinecarbodithioic acid (CAS 95480-31-2), with molecular formula C7H12N2OS2 and molecular weight 204.04 g/mol. IUPAC: 4-carbamoylpiperidine-1-carbodithioic acid.
Chemical Property Profile of 4-(Aminocarbonyl)-1-piperidinecarbodithioic acid
Property Insights of 4-(Aminocarbonyl)-1-piperidinecarbodithioic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Aminocarbonyl)-1-piperidinecarbodithioic acid. The TPSA of 79.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Aminocarbonyl)-1-piperidinecarbodithioic acid. Following Lipinski's Rule of Five, 4-(Aminocarbonyl)-1-piperidinecarbodithioic acid has 2 hydrogen bond donor(s) and 3 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-(Aminocarbonyl)-1-piperidinecarbodithioic acid?
The CAS number of 4-(Aminocarbonyl)-1-piperidinecarbodithioic acid is 95480-31-2.
What is the molecular formula of 4-(Aminocarbonyl)-1-piperidinecarbodithioic acid?
The molecular formula of 4-(Aminocarbonyl)-1-piperidinecarbodithioic acid is C7H12N2OS2.
What is the molecular weight of 4-(Aminocarbonyl)-1-piperidinecarbodithioic acid?
The molecular weight of 4-(Aminocarbonyl)-1-piperidinecarbodithioic acid is 204.04 g/mol.
Where can I buy 4-(Aminocarbonyl)-1-piperidinecarbodithioic acid?
You can request a quote for 4-(Aminocarbonyl)-1-piperidinecarbodithioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Aminocarbonyl)-1-piperidinecarbodithioic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Aminocarbonyl)-1-piperidinecarbodithioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.