copper bis(2-hydroxy-4-methylsulfanylbutanoate)

C10H18CuO6S2 — CID 16747768

IUPACcopper bis(2-hydroxy-4-methylsulfanylbutanoate)
SMILESCSCCC(O)C(=O)[O-].CSCCC(O)C(=O)[O-].[Cu+2]
InChIInChI=1S/2C5H10O3S.Cu/c2*1-9-3-2-4(6)5(7)8;/h2*4,6H,2-3H2,1H3,(H,7,8);/q;;+2/p-2
InChIKeyYIYKGTLFXNWROZ-UHFFFAOYSA-L
MW361.93 g/mol
LogP-2.30
Rot. Bonds8

About copper bis(2-hydroxy-4-methylsulfanylbutanoate)

copper bis(2-hydroxy-4-methylsulfanylbutanoate) (PubChem CID 16747768) has the molecular formula C10H18CuO6S2 and a molecular weight of 361.93 g/mol. Its IUPAC name is copper bis(2-hydroxy-4-methylsulfanylbutanoate).

Molecular Properties

Compound Namecopper bis(2-hydroxy-4-methylsulfanylbutanoate)
PubChem CID16747768
Molecular FormulaC10H18CuO6S2
Molecular Weight361.93 g/mol
Exact Mass360.98
IUPAC Namecopper bis(2-hydroxy-4-methylsulfanylbutanoate)
SMILESCSCCC(O)C(=O)[O-].CSCCC(O)C(=O)[O-].[Cu+2]
InChIInChI=1S/2C5H10O3S.Cu/c2*1-9-3-2-4(6)5(7)8;/h2*4,6H,2-3H2,1H3,(H,7,8);/q;;+2/p-2
InChIKeyYIYKGTLFXNWROZ-UHFFFAOYSA-L
XLogP-2.30
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.93
LogP ≤ 5-2.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of copper bis(2-hydroxy-4-methylsulfanylbutanoate)?
The IUPAC name of copper bis(2-hydroxy-4-methylsulfanylbutanoate) (CID 16747768) is copper bis(2-hydroxy-4-methylsulfanylbutanoate).
What is the SMILES notation for copper bis(2-hydroxy-4-methylsulfanylbutanoate)?
The canonical SMILES for copper bis(2-hydroxy-4-methylsulfanylbutanoate) is CSCCC(O)C(=O)[O-].CSCCC(O)C(=O)[O-].[Cu+2].
What is the InChIKey of copper bis(2-hydroxy-4-methylsulfanylbutanoate)?
The InChIKey is YIYKGTLFXNWROZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H10O3S.Cu/c2*1-9-3-2-4(6)5(7)8;/h2*4,6H,2-3H2,1H3,(H,7,8);/q;;+2/p-2.
What are the key properties of copper bis(2-hydroxy-4-methylsulfanylbutanoate)?
copper bis(2-hydroxy-4-methylsulfanylbutanoate) has a molecular weight of 361.93 g/mol, XLogP of -2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(2-hydroxy-4-methylsulfanylbutanoate) is sourced from PubChem (CID 16747768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).