S-tert-Butyl heptanethioate

Base Information

• Chemical Name: S-tert-Butyl heptanethioate
• CAS No.: 89076-15-3
• Molecular Formula: C11H22OS
• DSSTox Substance ID: DTXSID90606898
• Wikidata: Q82505807
• Mol file: 89076-15-3.mol

Synonyms:S-tert-Butyl heptanethioate;89076-15-3;SCHEMBL10955884;DTXSID90606898

Chemical Property of S-tert-Butyl heptanethioate

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 202.13913649
• Heavy Atom Count: 13
• Complexity: 147

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(=O)SC(C)(C)C