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

**CAS:** 4857-44-7  
**PubChem CID:** [107344](https://pubchem.ncbi.nlm.nih.gov/compound/107344)  
**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]`  
**InChIKey:** `ABRVDWASZFDIEH-UHFFFAOYSA-L`  
**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`  

## Physicochemical properties

| Parameter | Value |
|---|---|
| PSA | 171 Ų |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 8 |
| Rotatable bonds | 6 |
| Heavy atoms | 19 |

## 3D structure

The molecule contains 37 atoms connected by 34 chemical bonds. Interactive 3D model 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

## 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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**How to cite:** MolGod.org. "Calcium bis(2-hydroxy-4-(methylthio)butyrate) (CAS 4857-44-7)." Last modified 2026-09-03. https://molgod.org/molecule/4857-44-7/ — for a chemical fact, cite its primary source (PubChem CID 107344); for a 3D model file, cite its MolGod ID, the variant and the SHA-256 from its licence record.

*Last updated: 2026-09-03 · Generator: MOL-GOD v3.12.33*