# Calcium bis(2-hydroxy-4-(methylthio)butyrate)

CAS: 4857-44-7
PubChem CID: 107344
InChIKey: ABRVDWASZFDIEH-UHFFFAOYSA-L
Wikidata: Q27252956
Molecular formula: C₁₀H₁₈CaO₆S₂
Molar mass: 338.5 g/mol
IUPAC: calcium bis(2-hydroxy-4-methylsulfanylbutanoate)
SMILES: CSCCC(C(=O)[O-])O.CSCCC(C(=O)[O-])O.[Ca+2]
InChI: InChI=1S/2C5H10O3S.Ca/c2*1-9-3-2-4(6)5(7)8;/h2*4,6H,2-3H2,1H3,(H,7,8);/q;;+2/p-2
PSA: 171 A^2
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 6
Heavy atoms: 19
3D structure: 37 atoms, 34 bonds

## About the compound

Calcium bis(2-hydroxy-4-(methylthio)butyrate) is a chemical compound registered under CAS number 4857-44-7. Molecular formula: C₁₀H₁₈CaO₆S₂. Molar mass: 338.5 g/mol. The full systematic IUPAC name is: calcium bis(2-hydroxy-4-methylsulfanylbutanoate). The molecule contains 37 atoms connected by 34 chemical bonds. 
Chemical data comes from the PubChem (NIH), ChEMBL (EBI) and NIST WebBook databases. GHS statement translations comply with the CLP Regulation (EC 1272/2008). Interactive 3D model and 2D skeleton available at: https://molgod.org/molecule/4857-44-7/


## Synonyms

  - Calcium bis(2-hydroxy-4-(methylthio)butyrate)
  - RefChem:573394
  - 225-455-4
  - 4857-44-7
  - Calcium 2-hydroxy-4-(methylthio)butanoate
  - 2-Hydroxy-4-(methylthio)butyric acid calcium salt
  - Calcium 2-hydroxy-4-(methylthio)butyrate
  - Butanoic acid, 2-hydroxy-4-(methylthio)-, calcium salt (2:1)
  - Desmeninol calcium
  - 922-50-9
  - C10H18CaO6S2
  - OH-M

## Data sources

  - PubChem CID 107344: https://pubchem.ncbi.nlm.nih.gov/compound/107344
  - NIST WebBook: https://webbook.nist.gov/cgi/cbook.cgi?ID=4857-44-7
  - ChEMBL: https://www.ebi.ac.uk/chembl/g/#search_results/all/query=4857-44-7

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