tris(6-methoxyquinoline-8-thiolate);ruthenium(3+)

C30H24N3O3RuS3 — CID 25146872

IUPACtris(6-methoxyquinoline-8-thiolate);ruthenium(3+)
SMILESCOc1cc([S-])c2ncccc2c1.COc1cc([S-])c2ncccc2c1.COc1cc([S-])c2ncccc2c1.[Ru+3]
InChIInChI=1S/3C10H9NOS.Ru/c3*1-12-8-5-7-3-2-4-11-10(7)9(13)6-8;/h3*2-6,13H,1H3;/q;;;+3/p-3
InChIKeySSPHNKIWTYVXGC-UHFFFAOYSA-K
MW671.81 g/mol
LogP6.45
Rot. Bonds3

About tris(6-methoxyquinoline-8-thiolate);ruthenium(3+)

tris(6-methoxyquinoline-8-thiolate);ruthenium(3+) (PubChem CID 25146872) has the molecular formula C30H24N3O3RuS3 and a molecular weight of 671.81 g/mol. Its IUPAC name is tris(6-methoxyquinoline-8-thiolate);ruthenium(3+).

Molecular Properties

Compound Nametris(6-methoxyquinoline-8-thiolate);ruthenium(3+)
PubChem CID25146872
Molecular FormulaC30H24N3O3RuS3
Molecular Weight671.81 g/mol
Exact Mass672.00
IUPAC Nametris(6-methoxyquinoline-8-thiolate);ruthenium(3+)
SMILESCOc1cc([S-])c2ncccc2c1.COc1cc([S-])c2ncccc2c1.COc1cc([S-])c2ncccc2c1.[Ru+3]
InChIInChI=1S/3C10H9NOS.Ru/c3*1-12-8-5-7-3-2-4-11-10(7)9(13)6-8;/h3*2-6,13H,1H3;/q;;;+3/p-3
InChIKeySSPHNKIWTYVXGC-UHFFFAOYSA-K
XLogP6.45
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.81
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tris(6-methoxyquinoline-8-thiolate);ruthenium(3+)?
The IUPAC name of tris(6-methoxyquinoline-8-thiolate);ruthenium(3+) (CID 25146872) is tris(6-methoxyquinoline-8-thiolate);ruthenium(3+).
What is the SMILES notation for tris(6-methoxyquinoline-8-thiolate);ruthenium(3+)?
The canonical SMILES for tris(6-methoxyquinoline-8-thiolate);ruthenium(3+) is COc1cc([S-])c2ncccc2c1.COc1cc([S-])c2ncccc2c1.COc1cc([S-])c2ncccc2c1.[Ru+3].
What is the InChIKey of tris(6-methoxyquinoline-8-thiolate);ruthenium(3+)?
The InChIKey is SSPHNKIWTYVXGC-UHFFFAOYSA-K. The full InChI is InChI=1S/3C10H9NOS.Ru/c3*1-12-8-5-7-3-2-4-11-10(7)9(13)6-8;/h3*2-6,13H,1H3;/q;;;+3/p-3.
What are the key properties of tris(6-methoxyquinoline-8-thiolate);ruthenium(3+)?
tris(6-methoxyquinoline-8-thiolate);ruthenium(3+) has a molecular weight of 671.81 g/mol, XLogP of 6.45, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris(6-methoxyquinoline-8-thiolate);ruthenium(3+) is sourced from PubChem (CID 25146872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).