Propanethioic acid, 2-methyl-, S-2-pyridinyl ester

Base Information

• Chemical Name: Propanethioic acid, 2-methyl-, S-2-pyridinyl ester
• CAS No.: 81357-56-4
• Molecular Formula: C9H11NOS
• Molecular Weight: 181.258
• DSSTox Substance ID: DTXSID30446013
• Nikkaji Number: J483.804A
• Wikidata: Q82264570

Synonyms:Propanethioic acid, 2-methyl-, S-2-pyridinyl ester;81357-56-4;SCHEMBL464425;DTXSID30446013;2-Methylpropanethioic acid S-(2-pyridinyl) ester

Chemical Property of Propanethioic acid, 2-methyl-, S-2-pyridinyl ester

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 181.05613515
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(=O)SC1=CC=CC=N1

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