1H-imidazole;1H-imidazol-3-ium;methylsulfinylmethane;ruthenium(3+);tetrachloride

C8H15Cl4N4ORuS — CID 133082692

IUPAC1H-imidazole;1H-imidazol-3-ium;methylsulfinylmethane;ruthenium(3+);tetrachloride
SMILESCS(C)=O.[Cl-].[Cl-].[Cl-].[Cl-].[Ru+3].c1c[nH+]c[nH]1.c1c[nH]cn1
InChIInChI=1S/2C3H4N2.C2H6OS.4ClH.Ru/c2*1-2-5-3-4-1;1-4(2)3;;;;;/h2*1-3H,(H,4,5);1-2H3;4*1H;/q;;;;;;;+3/p-3
InChIKeyRJZBTXZRLXLLKO-UHFFFAOYSA-K
MW458.18 g/mol
LogP-11.75
Rot. Bonds

About 1H-imidazole;1H-imidazol-3-ium;methylsulfinylmethane;ruthenium(3+);tetrachloride

1H-imidazole;1H-imidazol-3-ium;methylsulfinylmethane;ruthenium(3+);tetrachloride (PubChem CID 133082692) has the molecular formula C8H15Cl4N4ORuS and a molecular weight of 458.18 g/mol. Its IUPAC name is 1H-imidazole;1H-imidazol-3-ium;methylsulfinylmethane;ruthenium(3+);tetrachloride.

Molecular Properties

Compound Name1H-imidazole;1H-imidazol-3-ium;methylsulfinylmethane;ruthenium(3+);tetrachloride
PubChem CID133082692
Molecular FormulaC8H15Cl4N4ORuS
Molecular Weight458.18 g/mol
Exact Mass456.88
IUPAC Name1H-imidazole;1H-imidazol-3-ium;methylsulfinylmethane;ruthenium(3+);tetrachloride
SMILESCS(C)=O.[Cl-].[Cl-].[Cl-].[Cl-].[Ru+3].c1c[nH+]c[nH]1.c1c[nH]cn1
InChIInChI=1S/2C3H4N2.C2H6OS.4ClH.Ru/c2*1-2-5-3-4-1;1-4(2)3;;;;;/h2*1-3H,(H,4,5);1-2H3;4*1H;/q;;;;;;;+3/p-3
InChIKeyRJZBTXZRLXLLKO-UHFFFAOYSA-K
XLogP-11.75
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.18
LogP ≤ 5-11.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;1H-imidazol-3-ium;methylsulfinylmethane;ruthenium(3+);tetrachloride?
The IUPAC name of 1H-imidazole;1H-imidazol-3-ium;methylsulfinylmethane;ruthenium(3+);tetrachloride (CID 133082692) is 1H-imidazole;1H-imidazol-3-ium;methylsulfinylmethane;ruthenium(3+);tetrachloride.
What is the SMILES notation for 1H-imidazole;1H-imidazol-3-ium;methylsulfinylmethane;ruthenium(3+);tetrachloride?
The canonical SMILES for 1H-imidazole;1H-imidazol-3-ium;methylsulfinylmethane;ruthenium(3+);tetrachloride is CS(C)=O.[Cl-].[Cl-].[Cl-].[Cl-].[Ru+3].c1c[nH+]c[nH]1.c1c[nH]cn1.
What is the InChIKey of 1H-imidazole;1H-imidazol-3-ium;methylsulfinylmethane;ruthenium(3+);tetrachloride?
The InChIKey is RJZBTXZRLXLLKO-UHFFFAOYSA-K. The full InChI is InChI=1S/2C3H4N2.C2H6OS.4ClH.Ru/c2*1-2-5-3-4-1;1-4(2)3;;;;;/h2*1-3H,(H,4,5);1-2H3;4*1H;/q;;;;;;;+3/p-3.
What are the key properties of 1H-imidazole;1H-imidazol-3-ium;methylsulfinylmethane;ruthenium(3+);tetrachloride?
1H-imidazole;1H-imidazol-3-ium;methylsulfinylmethane;ruthenium(3+);tetrachloride has a molecular weight of 458.18 g/mol, XLogP of -11.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;1H-imidazol-3-ium;methylsulfinylmethane;ruthenium(3+);tetrachloride is sourced from PubChem (CID 133082692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).