4-Morpholinecarbodithioic acid, 2-hydroxyethyl ester

Base Information

• Chemical Name: 4-Morpholinecarbodithioic acid, 2-hydroxyethyl ester
• CAS No.: 63868-54-2
• Molecular Formula: C₇H₁₃NO₂S₂
• Molecular Weight: 207.318
• NSC Number: 81383
• DSSTox Substance ID: DTXSID30213328
• Nikkaji Number: J70.137H
• Wikidata: Q83088650
• Mol file: 63868-54-2.mol

Synonyms:63868-54-2;4-Morpholinecarbodithioic acid, 2-hydroxyethyl ester;2-Hydroxyethyl 4-morpholinecarbodithioate;BRN 0138650;4-27-00-00308 (Beilstein Handbook Reference);4-Morpholinecarbodithioic acid,2-hydroxyethyl ester;SCHEMBL11759245;DTXSID30213328;NSC81383;NSC 81383;NSC-81383

Chemical Property of 4-Morpholinecarbodithioic acid, 2-hydroxyethyl ester

Chemical Property:

• Vapor Pressure: 3.29E-06mmHg at 25°C
• Boiling Point: 347.6°C at 760 mmHg
• PKA: 14.19±0.10(Predicted)
• Flash Point: 164°C
• PSA: 90.09000
• Density: 1.331g/cm³
• LogP: 0.26690
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 207.03877100
• Heavy Atom Count: 12
• Complexity: 148

Purity/Quality:

99% ^*data from raw suppliers

2-HYDROXYETHYL-4-MORPHOLINECARBODITHIOIC ACID ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1C(=S)SCCO

Technology Process of 4-Morpholinecarbodithioic acid, 2-hydroxyethyl ester

There total 1 articles about 4-Morpholinecarbodithioic acid, 2-hydroxyethyl ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

sodium N-morpholinocarbamodithioate (873-58-5) + 2-chloro-ethanol (107-07-3) → morpholine-4-carbodithioic acid-(2-hydroxy-ethyl ester) (63868-54-2)

Guidance literature:

With water;

Reference yield:

morpholine-4-carbodithioic acid-(2-hydroxy-ethyl ester) (63868-54-2) + 4-nitro-benzoyl chloride (122-04-3) → 1-(morpholine-4-thiocarbonylmercapto)-2-(4-nitro-benzoyloxy)-ethane

Guidance literature:

With pyridine;

Reference yield:

morpholine-4-carbodithioic acid-(2-hydroxy-ethyl ester) (63868-54-2) + phenyl isocyanate (103-71-9) → 1-(morpholine-4-thiocarbonylmercapto)-2-phenylcarbamoyloxy-ethane

Guidance literature:

upstream raw materials:

sodium N-morpholinocarbamodithioate

2-chloro-ethanol