3-Thiazolidinepropanoic acid, 2-((2-methoxyphenoxy)methyl)-beta-oxo-, ethyl ester, 1,1-dioxide

Base Information

• Chemical Name: 3-Thiazolidinepropanoic acid, 2-((2-methoxyphenoxy)methyl)-beta-oxo-, ethyl ester, 1,1-dioxide
• CAS No.: 161364-67-6
• Molecular Formula: C16H21 N O7 S
• Molecular Weight: 371.4054
• DSSTox Substance ID: DTXSID70936504
• ChEMBL ID: CHEMBL147447
• Mol file: 161364-67-6.mol

Synonyms:161364-67-6;3-Thiazolidinepropanoic acid, 2-((2-methoxyphenoxy)methyl)-beta-oxo-, ethyl ester, 1,1-dioxide;Ethyl 2-((2-methoxyphenoxy)methyl)-beta-oxo-1,3-thiazolidine-3-propionate 1,1-dioxide;ethyl 3-[2-[(2-methoxyphenoxy)methyl]-1,1-dioxo-1,3-thiazolidin-3-yl]-3-oxopropanoate;3-Thiazolidinepropanoic acid, 2-((2-methoxyphenoxy)methyl)-beta-oxo-, ethyl ester, 1,1-dioxide;CHEMBL147447;DTXSID70936504;FMCOVILDNWWUGH-UHFFFAOYSA-N;LS-151530;Ethyl 3-{2-[(2-methoxyphenoxy)methyl]-1,1-dioxo-1lambda~6~,3-thiazolidin-3-yl}-3-oxopropanoate

Chemical Property of 3-Thiazolidinepropanoic acid, 2-((2-methoxyphenoxy)methyl)-beta-oxo-, ethyl ester, 1,1-dioxide

Chemical Property:

• Vapor Pressure: 2.97E-14mmHg at 25°C
• Boiling Point: 597.8°Cat760mmHg
• PKA: 12.69±0.40(Predicted)
• Flash Point: 315.3°C
• PSA: 107.59000
• Density: 1.307g/cm³
• LogP: 1.62900
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 371.10387318
• Heavy Atom Count: 25
• Complexity: 572

Purity/Quality:

2-((2-METHOXYPHENOXY)METHYL)-BETA-OXO-3-THIAZOLIDINEPROPANOIC ACID ETHYL ESTER-1,1-DIOXIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC(=O)N1CCS(=O)(=O)C1COC2=CC=CC=C2OC