4-Morpholinecarbodithioic acid, 2-hydroxyethyl ester
TL;DR: 4-Morpholinecarbodithioic acid, 2-hydroxyethyl ester (CAS 63868-54-2) is a chemical compound with molecular formula C7H13NO2S2 and molecular weight 207.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxyethyl morpholine-4-carbodithioate
Also Known As: 2-hydroxyethyl morpholine-4-carbodithioate, 2-Hydroxyethyl 4-morpholinecarbodithioate, 4-Morpholinecarbodithioic acid, 2-hydroxyethyl ester, 4-27-00-00308 (Beilstein Handbook Reference), 4-Morpholinecarbodithioicacid,2-hydroxyethylester
| Molecular Formula | C7H13NO2S2 |
|---|---|
| Molecular Weight | 207.04 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 90.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.03877 |
| Heavy Atoms | 12 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 63868-54-2 |
|---|---|
| SMILES | C1COCCN1C(=S)SCCO |
| InChIKey | YVCGTSJEHOFNPF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Morpholinecarbodithioic acid, 2-hydroxyethyl ester (CAS 63868-54-2), with molecular formula C7H13NO2S2 and molecular weight 207.04 g/mol. IUPAC: 2-hydroxyethyl morpholine-4-carbodithioate.
Chemical Property Profile of 4-Morpholinecarbodithioic acid, 2-hydroxyethyl ester
Property Insights of 4-Morpholinecarbodithioic acid, 2-hydroxyethyl ester
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Morpholinecarbodithioic acid, 2-hydroxyethyl ester. The TPSA of 90.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Morpholinecarbodithioic acid, 2-hydroxyethyl ester. Following Lipinski's Rule of Five, 4-Morpholinecarbodithioic acid, 2-hydroxyethyl ester 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 4-Morpholinecarbodithioic acid, 2-hydroxyethyl ester?
The CAS number of 4-Morpholinecarbodithioic acid, 2-hydroxyethyl ester is 63868-54-2.
What is the molecular formula of 4-Morpholinecarbodithioic acid, 2-hydroxyethyl ester?
The molecular formula of 4-Morpholinecarbodithioic acid, 2-hydroxyethyl ester is C7H13NO2S2.
What is the molecular weight of 4-Morpholinecarbodithioic acid, 2-hydroxyethyl ester?
The molecular weight of 4-Morpholinecarbodithioic acid, 2-hydroxyethyl ester is 207.04 g/mol.
Where can I buy 4-Morpholinecarbodithioic acid, 2-hydroxyethyl ester?
You can request a quote for 4-Morpholinecarbodithioic acid, 2-hydroxyethyl ester 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, 2-hydroxyethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Morpholinecarbodithioic acid, 2-hydroxyethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.