2-hydroxy-4-methylsulfanylbutanoic acid;bis(nickel(2+))

C5H10Ni2O3S+4 — CID 46207063

IUPAC2-hydroxy-4-methylsulfanylbutanoic acid;bis(nickel(2+))
SMILESCSCCC(O)C(=O)O.[Ni+2].[Ni+2]
InChIInChI=1S/C5H10O3S.2Ni/c1-9-3-2-4(6)5(7)8;;/h4,6H,2-3H2,1H3,(H,7,8);;/q;2*+2
InChIKeyFSWWNQCCCUVWCE-UHFFFAOYSA-N
MW267.58 g/mol
LogP0.18
Rot. Bonds4

About 2-hydroxy-4-methylsulfanylbutanoic acid;bis(nickel(2+))

2-hydroxy-4-methylsulfanylbutanoic acid;bis(nickel(2+)) (PubChem CID 46207063) has the molecular formula C5H10Ni2O3S+4 and a molecular weight of 267.58 g/mol. Its IUPAC name is 2-hydroxy-4-methylsulfanylbutanoic acid;bis(nickel(2+)).

Molecular Properties

Compound Name2-hydroxy-4-methylsulfanylbutanoic acid;bis(nickel(2+))
PubChem CID46207063
Molecular FormulaC5H10Ni2O3S+4
Molecular Weight267.58 g/mol
Exact Mass265.90
IUPAC Name2-hydroxy-4-methylsulfanylbutanoic acid;bis(nickel(2+))
SMILESCSCCC(O)C(=O)O.[Ni+2].[Ni+2]
InChIInChI=1S/C5H10O3S.2Ni/c1-9-3-2-4(6)5(7)8;;/h4,6H,2-3H2,1H3,(H,7,8);;/q;2*+2
InChIKeyFSWWNQCCCUVWCE-UHFFFAOYSA-N
XLogP0.18
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.58
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methylsulfanylbutanoic acid;bis(nickel(2+))?
The IUPAC name of 2-hydroxy-4-methylsulfanylbutanoic acid;bis(nickel(2+)) (CID 46207063) is 2-hydroxy-4-methylsulfanylbutanoic acid;bis(nickel(2+)).
What is the SMILES notation for 2-hydroxy-4-methylsulfanylbutanoic acid;bis(nickel(2+))?
The canonical SMILES for 2-hydroxy-4-methylsulfanylbutanoic acid;bis(nickel(2+)) is CSCCC(O)C(=O)O.[Ni+2].[Ni+2].
What is the InChIKey of 2-hydroxy-4-methylsulfanylbutanoic acid;bis(nickel(2+))?
The InChIKey is FSWWNQCCCUVWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S.2Ni/c1-9-3-2-4(6)5(7)8;;/h4,6H,2-3H2,1H3,(H,7,8);;/q;2*+2.
What are the key properties of 2-hydroxy-4-methylsulfanylbutanoic acid;bis(nickel(2+))?
2-hydroxy-4-methylsulfanylbutanoic acid;bis(nickel(2+)) has a molecular weight of 267.58 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methylsulfanylbutanoic acid;bis(nickel(2+)) is sourced from PubChem (CID 46207063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).