1H-indazole;methylsulfinylmethane;osmium;tetrachloride

C9H12Cl4N2OOsS-4 — CID 25015525

IUPAC1H-indazole;methylsulfinylmethane;osmium;tetrachloride
SMILESCS(C)=O.[Cl-].[Cl-].[Cl-].[Cl-].[Os].c1ccc2[nH]ncc2c1
InChIInChI=1S/C7H6N2.C2H6OS.4ClH.Os/c1-2-4-7-6(3-1)5-8-9-7;1-4(2)3;;;;;/h1-5H,(H,8,9);1-2H3;4*1H;/p-4
InChIKeyRYYIGJMUOBGFDA-UHFFFAOYSA-J
MW528.32 g/mol
LogP-10.43
Rot. Bonds

About 1H-indazole;methylsulfinylmethane;osmium;tetrachloride

1H-indazole;methylsulfinylmethane;osmium;tetrachloride (PubChem CID 25015525) has the molecular formula C9H12Cl4N2OOsS-4 and a molecular weight of 528.32 g/mol. Its IUPAC name is 1H-indazole;methylsulfinylmethane;osmium;tetrachloride.

Molecular Properties

Compound Name1H-indazole;methylsulfinylmethane;osmium;tetrachloride
PubChem CID25015525
Molecular FormulaC9H12Cl4N2OOsS-4
Molecular Weight528.32 g/mol
Exact Mass527.91
IUPAC Name1H-indazole;methylsulfinylmethane;osmium;tetrachloride
SMILESCS(C)=O.[Cl-].[Cl-].[Cl-].[Cl-].[Os].c1ccc2[nH]ncc2c1
InChIInChI=1S/C7H6N2.C2H6OS.4ClH.Os/c1-2-4-7-6(3-1)5-8-9-7;1-4(2)3;;;;;/h1-5H,(H,8,9);1-2H3;4*1H;/p-4
InChIKeyRYYIGJMUOBGFDA-UHFFFAOYSA-J
XLogP-10.43
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.32
LogP ≤ 5-10.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-indazole;methylsulfinylmethane;osmium;tetrachloride?
The IUPAC name of 1H-indazole;methylsulfinylmethane;osmium;tetrachloride (CID 25015525) is 1H-indazole;methylsulfinylmethane;osmium;tetrachloride.
What is the SMILES notation for 1H-indazole;methylsulfinylmethane;osmium;tetrachloride?
The canonical SMILES for 1H-indazole;methylsulfinylmethane;osmium;tetrachloride is CS(C)=O.[Cl-].[Cl-].[Cl-].[Cl-].[Os].c1ccc2[nH]ncc2c1.
What is the InChIKey of 1H-indazole;methylsulfinylmethane;osmium;tetrachloride?
The InChIKey is RYYIGJMUOBGFDA-UHFFFAOYSA-J. The full InChI is InChI=1S/C7H6N2.C2H6OS.4ClH.Os/c1-2-4-7-6(3-1)5-8-9-7;1-4(2)3;;;;;/h1-5H,(H,8,9);1-2H3;4*1H;/p-4.
What are the key properties of 1H-indazole;methylsulfinylmethane;osmium;tetrachloride?
1H-indazole;methylsulfinylmethane;osmium;tetrachloride has a molecular weight of 528.32 g/mol, XLogP of -10.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazole;methylsulfinylmethane;osmium;tetrachloride is sourced from PubChem (CID 25015525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).