Hexanethioic acid S-propyl ester

Base Information

• Chemical Name: Hexanethioic acid S-propyl ester
• CAS No.: 2432-78-2
• Molecular Formula: C9H18OS
• Molecular Weight: 174.30400
• DSSTox Substance ID: DTXSID501314326
• Nikkaji Number: J125.785D
• Metabolomics Workbench ID: 48541
• Mol file: 2432-78-2.mol

Synonyms:S-Propyl hexanethioate;Hexanethioic acid S-propyl ester;Hexanethioic acid, S-propyl ester;2432-78-2;S-Propyl hexanethioate #;1-(propylsulfanyl)hexan-1-one;CHEBI:180249;DTXSID501314326

Chemical Property of Hexanethioic acid S-propyl ester

Chemical Property:

• PSA: 42.37000
• LogP: 3.23650
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 174.10783637
• Heavy Atom Count: 11
• Complexity: 102

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=O)SCCC

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