3-Thiazolidineacetic acid, 5-[(3-ethyl-5,6-dimethyl-2(3H)-benzoxazolylidene)ethylidene]-4-oxo-2-thioxo-

Base Information

• Chemical Name: 3-Thiazolidineacetic acid, 5-[(3-ethyl-5,6-dimethyl-2(3H)-benzoxazolylidene)ethylidene]-4-oxo-2-thioxo-
• CAS No.: 68133-61-9
• Molecular Formula: C18H18N2O4S2
• Molecular Weight: 390.4765
• European Community (EC) Number: 268-693-4
• DSSTox Substance ID: DTXSID3071145
• Nikkaji Number: J334.048A
• Mol file: 68133-61-9.mol

Synonyms:EINECS 268-693-4;68133-61-9;3-Thiazolidineacetic acid, 5-[(3-ethyl-5,6-dimethyl-2(3H)-benzoxazolylidene)ethylidene]-4-oxo-2-thioxo-;3-Carboxymethyl-5-((3-ethyl-5,6-dimethyl-2-benzoxazolinylidene)ethylidene)rhodanine;3-Thiazolidineacetic acid, 5-((3-ethyl-5,6-dimethyl-2(3H)-benzoxazolylidene)ethylidene)-4-oxo-2-thioxo-;3-Thiazolidineacetic acid, 5-(2-(3-ethyl-5,6-dimethyl-2(3H)-benzoxazolylidene)ethylidene)-4-oxo-2-thioxo-;C18H18N2O4S2;C18-H18-N2-O4-S2;5-((3-Ethyl-5,6-dimethylbenzoxazol-2(3H)-ylidene)ethylidene)-4-oxo-2-thioxothiazolidin-3-acetic acid;5-[(3-ethyl-5,6-dimethylbenzoxazol-2(3H)-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-acetic acid;DTXSID3071145;5-[2-[3-Ethyl-5,6-dimethylbenzoxazol-2(3H)-ylidene]ethylidene]-4-oxo-2-thioxothiazolidine-3-acetic acid

Chemical Property of 3-Thiazolidineacetic acid, 5-[(3-ethyl-5,6-dimethyl-2(3H)-benzoxazolylidene)ethylidene]-4-oxo-2-thioxo-

Chemical Property:

• Vapor Pressure: 3.18E-12mmHg at 25°C
• Boiling Point: 533.8°Cat760mmHg
• Flash Point: 276.6°C
• PSA: 133.07000
• Density: 1.48g/cm³
• LogP: 2.69930
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 390.07079941
• Heavy Atom Count: 26
• Complexity: 691

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C2=C(C=C(C(=C2)C)C)OC1=CC=C3C(=O)N(C(=S)S3)CC(=O)O
• Isomeric SMILES: CCN\1C2=C(C=C(C(=C2)C)C)O/C1=C\C=C/3\C(=O)N(C(=S)S3)CC(=O)O

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