4-Morpholinecarbodithioic acid, ethylene diester
TL;DR: 4-Morpholinecarbodithioic acid, ethylene diester (CAS 95844-90-9) is a chemical compound with molecular formula C12H20N2O2S4 and molecular weight 352.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(morpholine-4-carbothioylsulfanyl)ethyl morpholine-4-carbodithioate
Also Known As: 4-Morpholinecarbodithioic acid, ethylene diester, morpholine-4-carbodithioic acid ethane-1,2-diyl ester, 2-(morpholine-4-carbothioylsulfanyl)ethyl morpholine-4-carbodithioate
| Molecular Formula | C12H20N2O2S4 |
|---|---|
| Molecular Weight | 352.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.04077 |
| Heavy Atoms | 20 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 95844-90-9 |
|---|---|
| SMILES | C1COCCN1C(=S)SCCSC(=S)N2CCOCC2 |
| InChIKey | VTVUTLCOGCPFSX-UHFFFAOYSA-N |
Product Overview
4-Morpholinecarbodithioic acid, ethylene diester (CAS 95844-90-9), with molecular formula C12H20N2O2S4 and molecular weight 352.04 g/mol. IUPAC: 2-(morpholine-4-carbothioylsulfanyl)ethyl morpholine-4-carbodithioate.
Chemical Property Profile of 4-Morpholinecarbodithioic acid, ethylene diester
Property Insights of 4-Morpholinecarbodithioic acid, ethylene diester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Morpholinecarbodithioic acid, ethylene diester. The TPSA of 140.0 Ų indicates high polarity, suggesting 4-Morpholinecarbodithioic acid, ethylene diester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Morpholinecarbodithioic acid, ethylene diester has 0 hydrogen bond donor(s) and 6 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 4-Morpholinecarbodithioic acid, ethylene diester?
The CAS number of 4-Morpholinecarbodithioic acid, ethylene diester is 95844-90-9.
What is the molecular formula of 4-Morpholinecarbodithioic acid, ethylene diester?
The molecular formula of 4-Morpholinecarbodithioic acid, ethylene diester is C12H20N2O2S4.
What is the molecular weight of 4-Morpholinecarbodithioic acid, ethylene diester?
The molecular weight of 4-Morpholinecarbodithioic acid, ethylene diester is 352.04 g/mol.
Where can I buy 4-Morpholinecarbodithioic acid, ethylene diester?
You can request a quote for 4-Morpholinecarbodithioic acid, ethylene diester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Morpholinecarbodithioic acid, ethylene diester?
Yes, KEHONG BIO provides custom synthesis services for 4-Morpholinecarbodithioic acid, ethylene diester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.