azanium;methylsulfinylmethane;bis(ruthenium(3+));heptachloride

C6H22Cl7NO3Ru2S3 — CID 10327400

IUPACazanium;methylsulfinylmethane;bis(ruthenium(3+));heptachloride
SMILESCS(C)=O.CS(C)=O.CS(C)=O.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[NH4+].[Ru+3].[Ru+3]
InChIInChI=1S/3C2H6OS.7ClH.H3N.2Ru/c3*1-4(2)3;;;;;;;;;;/h3*1-2H3;7*1H;1H3;;/q;;;;;;;;;;;2*+3/p-6
InChIKeyXPFFLQGTGOUPBT-UHFFFAOYSA-H
MW702.76 g/mol
LogP-20.62
Rot. Bonds

About azanium;methylsulfinylmethane;bis(ruthenium(3+));heptachloride

azanium;methylsulfinylmethane;bis(ruthenium(3+));heptachloride (PubChem CID 10327400) has the molecular formula C6H22Cl7NO3Ru2S3 and a molecular weight of 702.76 g/mol. Its IUPAC name is azanium;methylsulfinylmethane;bis(ruthenium(3+));heptachloride.

Molecular Properties

Compound Nameazanium;methylsulfinylmethane;bis(ruthenium(3+));heptachloride
PubChem CID10327400
Molecular FormulaC6H22Cl7NO3Ru2S3
Molecular Weight702.76 g/mol
Exact Mass700.67
IUPAC Nameazanium;methylsulfinylmethane;bis(ruthenium(3+));heptachloride
SMILESCS(C)=O.CS(C)=O.CS(C)=O.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[NH4+].[Ru+3].[Ru+3]
InChIInChI=1S/3C2H6OS.7ClH.H3N.2Ru/c3*1-4(2)3;;;;;;;;;;/h3*1-2H3;7*1H;1H3;;/q;;;;;;;;;;;2*+3/p-6
InChIKeyXPFFLQGTGOUPBT-UHFFFAOYSA-H
XLogP-20.62
TPSA87.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500702.76
LogP ≤ 5-20.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze azanium;methylsulfinylmethane;bis(ruthenium(3+));heptachloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of azanium;methylsulfinylmethane;bis(ruthenium(3+));heptachloride?
The IUPAC name of azanium;methylsulfinylmethane;bis(ruthenium(3+));heptachloride (CID 10327400) is azanium;methylsulfinylmethane;bis(ruthenium(3+));heptachloride.
What is the SMILES notation for azanium;methylsulfinylmethane;bis(ruthenium(3+));heptachloride?
The canonical SMILES for azanium;methylsulfinylmethane;bis(ruthenium(3+));heptachloride is CS(C)=O.CS(C)=O.CS(C)=O.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[NH4+].[Ru+3].[Ru+3].
What is the InChIKey of azanium;methylsulfinylmethane;bis(ruthenium(3+));heptachloride?
The InChIKey is XPFFLQGTGOUPBT-UHFFFAOYSA-H. The full InChI is InChI=1S/3C2H6OS.7ClH.H3N.2Ru/c3*1-4(2)3;;;;;;;;;;/h3*1-2H3;7*1H;1H3;;/q;;;;;;;;;;;2*+3/p-6.
What are the key properties of azanium;methylsulfinylmethane;bis(ruthenium(3+));heptachloride?
azanium;methylsulfinylmethane;bis(ruthenium(3+));heptachloride has a molecular weight of 702.76 g/mol, XLogP of -20.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;methylsulfinylmethane;bis(ruthenium(3+));heptachloride is sourced from PubChem (CID 10327400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).