4-(Isobutylthio)benzoic acid

Base Information

• Chemical Name: 4-(Isobutylthio)benzoic acid
• CAS No.: 53551-35-2
• Molecular Formula: C₁₁H₁₄O₂S
• Molecular Weight: 210.297
• European Community (EC) Number: 959-304-5

Synonyms:4-(ISOBUTYLTHIO)BENZOIC ACID;53551-35-2;SCHEMBL6487970;AKOS000147158;4-(2-methylpropylsulfanyl)benzoic acid

Chemical Property of 4-(Isobutylthio)benzoic acid

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 210.07145086
• Heavy Atom Count: 14
• Complexity: 184

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: CC(C)CSC1=CC=C(C=C1)C(=O)O

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