methylsulfinylmethane;1,10-phenanthroline;trichlororuthenium

C14H14Cl3N2ORuS — CID 11454092

IUPACmethylsulfinylmethane;1,10-phenanthroline;trichlororuthenium
SMILESCS(C)=O.Cl[Ru](Cl)Cl.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.C2H6OS.3ClH.Ru/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-4(2)3;;;;/h1-8H;1-2H3;3*1H;/q;;;;;+3/p-3
InChIKeyGTOJEOYCPCKNJM-UHFFFAOYSA-K
MW465.78 g/mol
LogP4.84
Rot. Bonds

About methylsulfinylmethane;1,10-phenanthroline;trichlororuthenium

methylsulfinylmethane;1,10-phenanthroline;trichlororuthenium (PubChem CID 11454092) has the molecular formula C14H14Cl3N2ORuS and a molecular weight of 465.78 g/mol. Its IUPAC name is methylsulfinylmethane;1,10-phenanthroline;trichlororuthenium.

Molecular Properties

Compound Namemethylsulfinylmethane;1,10-phenanthroline;trichlororuthenium
PubChem CID11454092
Molecular FormulaC14H14Cl3N2ORuS
Molecular Weight465.78 g/mol
Exact Mass464.89
IUPAC Namemethylsulfinylmethane;1,10-phenanthroline;trichlororuthenium
SMILESCS(C)=O.Cl[Ru](Cl)Cl.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.C2H6OS.3ClH.Ru/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-4(2)3;;;;/h1-8H;1-2H3;3*1H;/q;;;;;+3/p-3
InChIKeyGTOJEOYCPCKNJM-UHFFFAOYSA-K
XLogP4.84
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.78
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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iridium(3+);1,10-phenanthroline
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CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
acetic acid;palladium;bis(1,10-phenanthroline)
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carbanide;1,10-phenanthroline;bis(trioxorhenium)
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diiodo(dimethyl)stannane;1,10-phenanthroline
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CID 53393580

Frequently Asked Questions

What is the IUPAC name of methylsulfinylmethane;1,10-phenanthroline;trichlororuthenium?
The IUPAC name of methylsulfinylmethane;1,10-phenanthroline;trichlororuthenium (CID 11454092) is methylsulfinylmethane;1,10-phenanthroline;trichlororuthenium.
What is the SMILES notation for methylsulfinylmethane;1,10-phenanthroline;trichlororuthenium?
The canonical SMILES for methylsulfinylmethane;1,10-phenanthroline;trichlororuthenium is CS(C)=O.Cl[Ru](Cl)Cl.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of methylsulfinylmethane;1,10-phenanthroline;trichlororuthenium?
The InChIKey is GTOJEOYCPCKNJM-UHFFFAOYSA-K. The full InChI is InChI=1S/C12H8N2.C2H6OS.3ClH.Ru/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-4(2)3;;;;/h1-8H;1-2H3;3*1H;/q;;;;;+3/p-3.
What are the key properties of methylsulfinylmethane;1,10-phenanthroline;trichlororuthenium?
methylsulfinylmethane;1,10-phenanthroline;trichlororuthenium has a molecular weight of 465.78 g/mol, XLogP of 4.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfinylmethane;1,10-phenanthroline;trichlororuthenium is sourced from PubChem (CID 11454092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).