2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl diethylcarbamodithioate
TL;DR: 2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl diethylcarbamodithioate (CAS 522659-52-5) is a chemical compound with molecular formula C19H19ClN2OS3 and molecular weight 422.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl] N,N-diethylcarbamodithioate
Also Known As: 2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl diethylcarbamodithioate, [2-(2-chlorophenothiazin-10-yl)-2-oxoethyl] N,N-diethylcarbamodithioate, 1-(2-CHLORO-10H-PHENOTHIAZIN-10-YL)-2-[(DIETHYLCARBAMOTHIOYL)SULFANYL]ETHAN-1-ONE, 1-[2-(2-chlorophenothiazin-10-yl)-2-oxo-ethyl]sulfanyl-N,N-diethyl-methanethioamide, 2-[(diethylamino)thioxomethylthio]-1-(2-chlorophenothiazin-10-yl)ethan-1-one
| Molecular Formula | C19H19ClN2OS3 |
|---|---|
| Molecular Weight | 422.03 g/mol |
| LogP | 5.8292 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.0348 |
| Heavy Atoms | 26 |
| Complexity | 839.284 |
Chemical Identifiers
| CAS Number | 522659-52-5 |
|---|---|
| SMILES | CCN(CC)C(=S)SCC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl |
Product Overview
2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl diethylcarbamodithioate (CAS 522659-52-5), with molecular formula C19H19ClN2OS3 and molecular weight 422.03 g/mol. IUPAC: [2-(2-chlorophenothiazin-10-yl)-2-oxoethyl] N,N-diethylcarbamodithioate.
Chemical Property Profile of 2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl diethylcarbamodithioate
Property Insights of 2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl diethylcarbamodithioate
The XLogP value of 5.8292 indicates that 2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl diethylcarbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, 2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl diethylcarbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl diethylcarbamodithioate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl diethylcarbamodithioate?
The CAS number of 2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl diethylcarbamodithioate is 522659-52-5.
What is the molecular formula of 2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl diethylcarbamodithioate?
The molecular formula of 2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl diethylcarbamodithioate is C19H19ClN2OS3.
What is the molecular weight of 2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl diethylcarbamodithioate?
The molecular weight of 2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl diethylcarbamodithioate is 422.03 g/mol.
Where can I buy 2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl diethylcarbamodithioate?
You can request a quote for 2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl diethylcarbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl diethylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl diethylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.