N,N-Dimethyl-4-(piperazin-1-ylcarbonothioyl)aniline
TL;DR: N,N-Dimethyl-4-(piperazin-1-ylcarbonothioyl)aniline (CAS 431884-69-4) is a chemical compound with molecular formula C13H19N3S and molecular weight 249.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(dimethylamino)phenyl]-piperazin-1-ylmethanethione
Also Known As: N,N-DIMETHYL-4-(PIPERAZIN-1-YLCARBONOTHIOYL)ANILINE, CHEMBRDG-BB6671499, CHEMBRDG-BB 6671499, [4-(dimethylamino)phenyl]-piperazin-1-ylmethanethione, (4-(Dimethylamino)phenyl)(piperazin-1-yl)methanethione
| Molecular Formula | C13H19N3S |
|---|---|
| Molecular Weight | 249.13 g/mol |
| LogP | 1.3333 |
| Topological Polar Surface Area | 18.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.12997 |
| Heavy Atoms | 17 |
| Complexity | 380.15598 |
Chemical Identifiers
| CAS Number | 431884-69-4 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C(=S)N2CCNCC2 |
Product Overview
N,N-Dimethyl-4-(piperazin-1-ylcarbonothioyl)aniline (CAS 431884-69-4), with molecular formula C13H19N3S and molecular weight 249.13 g/mol. IUPAC: [4-(dimethylamino)phenyl]-piperazin-1-ylmethanethione.
Chemical Property Profile of N,N-Dimethyl-4-(piperazin-1-ylcarbonothioyl)aniline
Property Insights of N,N-Dimethyl-4-(piperazin-1-ylcarbonothioyl)aniline
The XLogP value of 1.3333 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Dimethyl-4-(piperazin-1-ylcarbonothioyl)aniline. With a topological polar surface area (TPSA) of 18.51 Ų, N,N-Dimethyl-4-(piperazin-1-ylcarbonothioyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Dimethyl-4-(piperazin-1-ylcarbonothioyl)aniline has 1 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 N,N-Dimethyl-4-(piperazin-1-ylcarbonothioyl)aniline?
The CAS number of N,N-Dimethyl-4-(piperazin-1-ylcarbonothioyl)aniline is 431884-69-4.
What is the molecular formula of N,N-Dimethyl-4-(piperazin-1-ylcarbonothioyl)aniline?
The molecular formula of N,N-Dimethyl-4-(piperazin-1-ylcarbonothioyl)aniline is C13H19N3S.
What is the molecular weight of N,N-Dimethyl-4-(piperazin-1-ylcarbonothioyl)aniline?
The molecular weight of N,N-Dimethyl-4-(piperazin-1-ylcarbonothioyl)aniline is 249.13 g/mol.
Where can I buy N,N-Dimethyl-4-(piperazin-1-ylcarbonothioyl)aniline?
You can request a quote for N,N-Dimethyl-4-(piperazin-1-ylcarbonothioyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Dimethyl-4-(piperazin-1-ylcarbonothioyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N,N-Dimethyl-4-(piperazin-1-ylcarbonothioyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.