[2-(Isopropylthio)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetic acid

Base Information

• Chemical Name: [2-(Isopropylthio)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetic acid
• CAS No.: 1142201-36-2
• Molecular Formula: C8H11NO3S2
• Molecular Weight: 233.3
• DSSTox Substance ID: DTXSID301168531
• Mol file: 1142201-36-2.mol

Synonyms:1142201-36-2;[2-(isopropylthio)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetic acid;2-(4-oxo-2-propan-2-ylsulfanyl-1,3-thiazol-5-yl)acetic acid;2-(2-(Isopropylthio)-4-oxo-4,5-dihydrothiazol-5-yl)acetic acid;DTXSID301168531;STK505400;AKOS005171815;2-(2-(Isopropylthio)-4-oxo-4,5-dihydrothiazol-5-yl)aceticacid;5-Thiazoleacetic acid, 4,5-dihydro-2-[(1-methylethyl)thio]-4-oxo-;[4-oxo-2-(propan-2-ylsulfanyl)-4,5-dihydro-1,3-thiazol-5-yl]acetic acid

Chemical Property of [2-(Isopropylthio)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetic acid

Chemical Property:

• PKA: 3.81±0.10(Predicted)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 233.01803556
• Heavy Atom Count: 14
• Complexity: 288

Purity/Quality:

98%min ^*data from raw suppliers

[2-(Isopropylthio)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC(C)SC1=NC(=O)C(S1)CC(=O)O