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Substance Name: Mercaptoisobutyric acid
RN: 4695-31-2
InChIKey: JTMBCYAUSCBSEY-UHFFFAOYSA-N

Molecular Formula

  • C4-H8-O2-S

Molecular Weight

  • 120.171
 
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Names and Synonyms

Name of Substance

  • Mercaptoisobutyric acid

Synonyms

  • 2-Mercaptoisobutyric acid
  • EINECS 225-159-5

Systematic Names

  • 2-Mercapto-2-methylpropanoic acid
  • 2-Mercapto-2-methylpropionic acid
  • Propanoic acid, 2-mercapto-2-methyl-

Registry Numbers

CAS Registry Number

  • 4695-31-2

System Generated Number

  • 0004695312

Structure Descriptors

InChI

1S/C4H8O2S/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6)

InChIKey

JTMBCYAUSCBSEY-UHFFFAOYSA-N

Smiles

O=C(O)C(S)(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 47 deg C   EXP
log P (octanol-water) 0.900 (none)   EST
Atmospheric OH Rate Constant 3.34E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.