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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > thiol > alkanethiol > 4-mercapto-4-methylpentan-2-one

Preferred term

4-mercapto-4-methylpentan-2-one  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C6H12OS

has_role

inchi

  • InChI=1S/C6H12OS/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3

inchikey

  • QRNZMFDCKKEPSX-UHFFFAOYSA-N

mass

  • 132.22400

monoisotopicmass

  • 132.06089

smiles

  • CC(=O)CC(C)(C)S

subset

  • 3_STAR

synonym EXACT

  • 4-methyl-4-sulfanylpentan-2-one

synonym RELATED

  • 4-Mercapto-4-methyl-2-Pentanone
  • 4-Methyl-4-mercapto-2-pentanone
  • 4-Methyl-4-mercaptopentan-2-one
  • 4-Methyl-4-sulfanyl-2-pentanone
  • 4-Methyl-4-thiolpentan-2-one
  • 4-Sulfanyl-4-methylpentan-2-one
  • 4-Sulphanyl-4-methylpentan-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:77856

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