5-[3-Ethylbenzothiazol-2(3H)-ylidene]-4-oxo-2-thioxo-3-thiazolidineacetic acid

Base Information

• Chemical Name: 5-[3-Ethylbenzothiazol-2(3H)-ylidene]-4-oxo-2-thioxo-3-thiazolidineacetic acid
• CAS No.: 7570-41-4
• Molecular Formula: C14H12N2O3S3
• Molecular Weight: 352.4517
• European Community (EC) Number: 231-470-7
• Nikkaji Number: J283.203H
• Mol file: 7570-41-4.mol

Synonyms:C14H12N2O3S3;C14-H12-N2-O3-S3;7570-41-4;SCHEMBL9191082;5-(3-Ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidin-3-acetic acid;STK396521;AKOS000732661;SR-01000315561;SR-01000315561-1;5-[3-Ethylbenzothiazol-2(3H)-ylidene]-4-oxo-2-thioxo-3-thiazolidineacetic acid;[(5E)-5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid;2-{5-[3-ethyl-1,3-benzothiazol-2(3H)-yliden]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}acetic acid

Chemical Property of 5-[3-Ethylbenzothiazol-2(3H)-ylidene]-4-oxo-2-thioxo-3-thiazolidineacetic acid

Chemical Property:

• Vapor Pressure: 5.08E-09mmHg at 25°C
• Boiling Point: 453.7°Cat760mmHg
• Flash Point: 228.2°C
• PSA: 121.48000
• Density: 1.64g/cm³
• LogP: 3.57650
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 352.00100577
• Heavy Atom Count: 22
• Complexity: 564

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C2=CC=CC=C2SC1=C3C(=O)N(C(=S)S3)CC(=O)O
• Isomeric SMILES: CCN\1C2=CC=CC=C2S/C1=C/3\C(=O)N(C(=S)S3)CC(=O)O

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