(2-anilino-2-oxoethyl) N,N-dimethylcarbamodithioate
TL;DR: (2-anilino-2-oxoethyl) N,N-dimethylcarbamodithioate (CAS 51661-14-4) is a chemical compound with molecular formula C11H14N2OS2 and molecular weight 254.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-anilino-2-oxoethyl) N,N-dimethylcarbamodithioate
Also Known As: (2-anilino-2-oxoethyl) N,N-dimethylcarbamodithioate, NCI60_001867, 2-Anilino-2-oxoethyl dimethylcarbamodithioate, 2-anilino-2-oxoethyl dimethyldithiocarbamate, AE-848/33595032
| Molecular Formula | C11H14N2OS2 |
|---|---|
| Molecular Weight | 254.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 89.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.05475 |
| Heavy Atoms | 16 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 51661-14-4 |
|---|---|
| SMILES | CN(C)C(=S)SCC(=O)NC1=CC=CC=C1 |
| InChIKey | RGIZDISFFZUCIM-UHFFFAOYSA-N |
Product Overview
(2-anilino-2-oxoethyl) N,N-dimethylcarbamodithioate (CAS 51661-14-4), with molecular formula C11H14N2OS2 and molecular weight 254.05 g/mol. IUPAC: (2-anilino-2-oxoethyl) N,N-dimethylcarbamodithioate.
Chemical Property Profile of (2-anilino-2-oxoethyl) N,N-dimethylcarbamodithioate
Property Insights of (2-anilino-2-oxoethyl) N,N-dimethylcarbamodithioate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-anilino-2-oxoethyl) N,N-dimethylcarbamodithioate. The TPSA of 89.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-anilino-2-oxoethyl) N,N-dimethylcarbamodithioate. Following Lipinski's Rule of Five, (2-anilino-2-oxoethyl) N,N-dimethylcarbamodithioate 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 (2-anilino-2-oxoethyl) N,N-dimethylcarbamodithioate?
The CAS number of (2-anilino-2-oxoethyl) N,N-dimethylcarbamodithioate is 51661-14-4.
What is the molecular formula of (2-anilino-2-oxoethyl) N,N-dimethylcarbamodithioate?
The molecular formula of (2-anilino-2-oxoethyl) N,N-dimethylcarbamodithioate is C11H14N2OS2.
What is the molecular weight of (2-anilino-2-oxoethyl) N,N-dimethylcarbamodithioate?
The molecular weight of (2-anilino-2-oxoethyl) N,N-dimethylcarbamodithioate is 254.05 g/mol.
Where can I buy (2-anilino-2-oxoethyl) N,N-dimethylcarbamodithioate?
You can request a quote for (2-anilino-2-oxoethyl) N,N-dimethylcarbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-anilino-2-oxoethyl) N,N-dimethylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for (2-anilino-2-oxoethyl) N,N-dimethylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.