dichlororuthenium;phenylsulfanylbenzene

C48H40Cl2RuS4 — CID 18541858

IUPACdichlororuthenium;phenylsulfanylbenzene
SMILESCl[Ru]Cl.c1ccc(Sc2ccccc2)cc1.c1ccc(Sc2ccccc2)cc1.c1ccc(Sc2ccccc2)cc1.c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/4C12H10S.2ClH.Ru/c4*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;/h4*1-10H;2*1H;/q;;;;;;+2/p-2
InChIKeyJOFNREYAOACEJF-UHFFFAOYSA-L
MW917.09 g/mol
LogP16.73
Rot. Bonds8

About dichlororuthenium;phenylsulfanylbenzene

dichlororuthenium;phenylsulfanylbenzene (PubChem CID 18541858) has the molecular formula C48H40Cl2RuS4 and a molecular weight of 917.09 g/mol. Its IUPAC name is dichlororuthenium;phenylsulfanylbenzene.

Molecular Properties

Compound Namedichlororuthenium;phenylsulfanylbenzene
PubChem CID18541858
Molecular FormulaC48H40Cl2RuS4
Molecular Weight917.09 g/mol
Exact Mass916.04
IUPAC Namedichlororuthenium;phenylsulfanylbenzene
SMILESCl[Ru]Cl.c1ccc(Sc2ccccc2)cc1.c1ccc(Sc2ccccc2)cc1.c1ccc(Sc2ccccc2)cc1.c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/4C12H10S.2ClH.Ru/c4*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;/h4*1-10H;2*1H;/q;;;;;;+2/p-2
InChIKeyJOFNREYAOACEJF-UHFFFAOYSA-L
XLogP16.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.09
LogP ≤ 516.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dichlororuthenium;phenylsulfanylbenzene?
The IUPAC name of dichlororuthenium;phenylsulfanylbenzene (CID 18541858) is dichlororuthenium;phenylsulfanylbenzene.
What is the SMILES notation for dichlororuthenium;phenylsulfanylbenzene?
The canonical SMILES for dichlororuthenium;phenylsulfanylbenzene is Cl[Ru]Cl.c1ccc(Sc2ccccc2)cc1.c1ccc(Sc2ccccc2)cc1.c1ccc(Sc2ccccc2)cc1.c1ccc(Sc2ccccc2)cc1.
What is the InChIKey of dichlororuthenium;phenylsulfanylbenzene?
The InChIKey is JOFNREYAOACEJF-UHFFFAOYSA-L. The full InChI is InChI=1S/4C12H10S.2ClH.Ru/c4*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;/h4*1-10H;2*1H;/q;;;;;;+2/p-2.
What are the key properties of dichlororuthenium;phenylsulfanylbenzene?
dichlororuthenium;phenylsulfanylbenzene has a molecular weight of 917.09 g/mol, XLogP of 16.73, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichlororuthenium;phenylsulfanylbenzene is sourced from PubChem (CID 18541858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).