2-(4-Chlorophenyl)-2-oxoethyl morpholine-4-carbodithioate
TL;DR: 2-(4-Chlorophenyl)-2-oxoethyl morpholine-4-carbodithioate (CAS 202340-91-8) is a chemical compound with molecular formula C13H14ClNO2S2 and molecular weight 315.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-chlorophenyl)-2-oxoethyl] morpholine-4-carbodithioate
Also Known As: Maybridge1_006028, BAS 00372080, (4-Chlorobenzoyl)methyl morpholine-4-carbodithionate, 2-(4-chlorophenyl)-2-oxoethyl morpholine-4-carbodithioate, [2-(4-chlorophenyl)-2-oxoethyl] morpholine-4-carbodithioate
| Molecular Formula | C13H14ClNO2S2 |
|---|---|
| Molecular Weight | 315.02 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.01544 |
| Heavy Atoms | 19 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 202340-91-8 |
|---|---|
| SMILES | C1COCCN1C(=S)SCC(=O)C2=CC=C(C=C2)Cl |
| InChIKey | UIQRSEUZLCKNOF-UHFFFAOYSA-N |
Product Overview
2-(4-Chlorophenyl)-2-oxoethyl morpholine-4-carbodithioate (CAS 202340-91-8), with molecular formula C13H14ClNO2S2 and molecular weight 315.02 g/mol. IUPAC: [2-(4-chlorophenyl)-2-oxoethyl] morpholine-4-carbodithioate.
Chemical Property Profile of 2-(4-Chlorophenyl)-2-oxoethyl morpholine-4-carbodithioate
Property Insights of 2-(4-Chlorophenyl)-2-oxoethyl morpholine-4-carbodithioate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Chlorophenyl)-2-oxoethyl morpholine-4-carbodithioate. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Chlorophenyl)-2-oxoethyl morpholine-4-carbodithioate. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-2-oxoethyl morpholine-4-carbodithioate has 0 hydrogen bond donor(s) and 4 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-Chlorophenyl)-2-oxoethyl morpholine-4-carbodithioate?
The CAS number of 2-(4-Chlorophenyl)-2-oxoethyl morpholine-4-carbodithioate is 202340-91-8.
What is the molecular formula of 2-(4-Chlorophenyl)-2-oxoethyl morpholine-4-carbodithioate?
The molecular formula of 2-(4-Chlorophenyl)-2-oxoethyl morpholine-4-carbodithioate is C13H14ClNO2S2.
What is the molecular weight of 2-(4-Chlorophenyl)-2-oxoethyl morpholine-4-carbodithioate?
The molecular weight of 2-(4-Chlorophenyl)-2-oxoethyl morpholine-4-carbodithioate is 315.02 g/mol.
Where can I buy 2-(4-Chlorophenyl)-2-oxoethyl morpholine-4-carbodithioate?
You can request a quote for 2-(4-Chlorophenyl)-2-oxoethyl morpholine-4-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-Chlorophenyl)-2-oxoethyl morpholine-4-carbodithioate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-2-oxoethyl morpholine-4-carbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.