chempirical

2-Hydroxy-4-(methylthio)butyric acid

C5H10O3SCAS 583-91-5150.19 g/mol

Open in Covalent MOL file
SOHOOH
AlcoholCarboxylic acidSulfide

Properties

Molecular formula
C5H10O3S
Molar mass
150.19 g/mol
Exact mass
150.0351 Da
logP
0.18Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4

Identifiers

CAS number
583-91-5
SMILES
CSCCC(O)C(=O)O
InChIKey
ONFOSYPQQXJWGS-UHFFFAOYSA-N
InChI
InChI=1S/C5H10O3S/c1-9-3-2-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

26 names · show all
  • Butanoic acid, 2-hydroxy-4-(methylthio)-
  • α-Hydroxy-4-(methylthio)butyric acid
  • DL-2-Hydroxy-4-(methylmercapto)butyric acid
  • DL-α-Hydroxy-γ-methylmercaptobutyric acid
  • DL-2-Hydroxy-4-(methylthio)butyric acid
  • Hydan L
  • DL-2-Hydroxy-4-(methylmercapto)butanoic acid
  • DL-2-Hydroxy-4-(methylthio)butanoic acid
  • Desmenidol
  • (+)-2-Hydroxy-4-(methylthio)butyric acid
  • AT 88
  • BIOX-A
  • HMTBA
  • Desmeninol
  • 2-Hydroxy-4-(methylsulfanyl)butanoic acid
  • Butyric acid, 2-hydroxy-4-(methylthio)-
  • Butyric acid, α-hydroxy-γ-(methylmercapto)-
  • 2-Hydroxy-4-(methylthio)butanoic acid
  • α-Hydroxy-γ-(methylmercapto)butyric acid
  • α-Hydroxy-γ-(methylthio)butyric acid
  • γ-(Methylthio)-α-hydroxybutyric acid
  • Alimet
  • MHA acid
  • MHA-FA
  • γ-(Methylmercapto)-α-hydroxybutyric acid
  • 2-Hydroxy-4-(methylmercapto)butyric acid

Work with 2-Hydroxy-4-(methylthio)butyric acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

D-Methionine348-67-461 % similar Methionine63-68-361 % similar Methionine hydroxy analog-calcium4857-44-756 % similar 4-Amino-2-hydroxybutanoic acid13477-53-753 % similar N-Acetylmethionine1115-47-553 % similar N-Acetyl-D-methionine1509-92-853 % similar N-Formylmethionine4289-98-953 % similar N-Formylmethionine4309-82-453 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia