3-Amino-3-oxopropyl morpholine-4-carbodithioate
TL;DR: 3-Amino-3-oxopropyl morpholine-4-carbodithioate (CAS 58744-71-1) is a chemical compound with molecular formula C8H14N2O2S2 and molecular weight 234.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-amino-3-oxopropyl) morpholine-4-carbodithioate
Also Known As: 3-amino-3-oxopropyl morpholine-4-carbodithioate, IFLab1_000822, 3-[Morpholino(thiocarbonyl)thio]propanamide, (3-amino-3-oxopropyl) morpholine-4-carbodithioate, 3-(morpholin-4-ylthioxomethylthio)propanamide
| Molecular Formula | C8H14N2O2S2 |
|---|---|
| Molecular Weight | 234.05 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.04967 |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 58744-71-1 |
|---|---|
| SMILES | C1COCCN1C(=S)SCCC(=O)N |
| InChIKey | VMKSKBVNNLLDDX-UHFFFAOYSA-N |
Product Overview
3-Amino-3-oxopropyl morpholine-4-carbodithioate (CAS 58744-71-1), with molecular formula C8H14N2O2S2 and molecular weight 234.05 g/mol. IUPAC: (3-amino-3-oxopropyl) morpholine-4-carbodithioate.
Chemical Property Profile of 3-Amino-3-oxopropyl morpholine-4-carbodithioate
Property Insights of 3-Amino-3-oxopropyl morpholine-4-carbodithioate
The XLogP value of -0.3 indicates that 3-Amino-3-oxopropyl morpholine-4-carbodithioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-3-oxopropyl morpholine-4-carbodithioate. Following Lipinski's Rule of Five, 3-Amino-3-oxopropyl morpholine-4-carbodithioate has 1 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 3-Amino-3-oxopropyl morpholine-4-carbodithioate?
The CAS number of 3-Amino-3-oxopropyl morpholine-4-carbodithioate is 58744-71-1.
What is the molecular formula of 3-Amino-3-oxopropyl morpholine-4-carbodithioate?
The molecular formula of 3-Amino-3-oxopropyl morpholine-4-carbodithioate is C8H14N2O2S2.
What is the molecular weight of 3-Amino-3-oxopropyl morpholine-4-carbodithioate?
The molecular weight of 3-Amino-3-oxopropyl morpholine-4-carbodithioate is 234.05 g/mol.
Where can I buy 3-Amino-3-oxopropyl morpholine-4-carbodithioate?
You can request a quote for 3-Amino-3-oxopropyl 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 3-Amino-3-oxopropyl morpholine-4-carbodithioate?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-3-oxopropyl morpholine-4-carbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.