4-Butyl-1,3-thiazole-2-carboxylic acid

Base Information

• Chemical Name: 4-Butyl-1,3-thiazole-2-carboxylic acid
• CAS No.: 115553-92-9
• Molecular Formula: C8H11 N O2 S
• Molecular Weight: 185.24
• DSSTox Substance ID: DTXSID40555089
• Wikidata: Q82436317
• Mol file: 115553-92-9.mol

Synonyms:115553-92-9;4-Butyl-1,3-thiazole-2-carboxylic acid;2-Thiazolecarboxylic acid, 4-butyl-;4-BUTYL-2-THIAZOLECARBOXYLIC ACID;4-butylthiazole-2-carboxylic acid;DTXSID40555089;AKOS006229140

Chemical Property of 4-Butyl-1,3-thiazole-2-carboxylic acid

Chemical Property:

• PSA: 78.43000
• LogP: 2.18390
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 185.05104977
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

2-THIAZOLECARBOXYLIC ACID, 4-BUTYL- 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CSC(=N1)C(=O)O

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