tetrakis(acetonitrile);bis(2-(1,8-naphthyridin-2-yl)-1,3-thiazole);bis(ruthenium(2+));diacetate;diperchlorate

C34H32Cl2N10O12Ru2S2 — CID 139170066

IUPACtetrakis(acetonitrile);bis(2-(1,8-naphthyridin-2-yl)-1,3-thiazole);bis(ruthenium(2+));diacetate;diperchlorate
SMILESCC#N.CC#N.CC#N.CC#N.CC(=O)[O-].CC(=O)[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Ru+2].[Ru+2].c1cnc2nc(-c3nccs3)ccc2c1.c1cnc2nc(-c3nccs3)ccc2c1
InChIInChI=1S/2C11H7N3S.4C2H3N.2C2H4O2.2ClHO4.2Ru/c2*1-2-8-3-4-9(11-13-6-7-15-11)14-10(8)12-5-1;4*1-2-3;2*1-2(3)4;2*2-1(3,4)5;;/h2*1-7H;4*1H3;2*1H3,(H,3,4);2*(H,2,3,4,5);;/q;;;;;;;;;;2*+2/p-4
InChIKeyASDORIQGBADUNW-UHFFFAOYSA-J
MW1109.87 g/mol
LogP-4.38
Rot. Bonds2

About tetrakis(acetonitrile);bis(2-(1,8-naphthyridin-2-yl)-1,3-thiazole);bis(ruthenium(2+));diacetate;diperchlorate

tetrakis(acetonitrile);bis(2-(1,8-naphthyridin-2-yl)-1,3-thiazole);bis(ruthenium(2+));diacetate;diperchlorate (PubChem CID 139170066) has the molecular formula C34H32Cl2N10O12Ru2S2 and a molecular weight of 1109.87 g/mol. Its IUPAC name is tetrakis(acetonitrile);bis(2-(1,8-naphthyridin-2-yl)-1,3-thiazole);bis(ruthenium(2+));diacetate;diperchlorate.

Molecular Properties

Compound Nametetrakis(acetonitrile);bis(2-(1,8-naphthyridin-2-yl)-1,3-thiazole);bis(ruthenium(2+));diacetate;diperchlorate
PubChem CID139170066
Molecular FormulaC34H32Cl2N10O12Ru2S2
Molecular Weight1109.87 g/mol
Exact Mass1109.91
IUPAC Nametetrakis(acetonitrile);bis(2-(1,8-naphthyridin-2-yl)-1,3-thiazole);bis(ruthenium(2+));diacetate;diperchlorate
SMILESCC#N.CC#N.CC#N.CC#N.CC(=O)[O-].CC(=O)[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Ru+2].[Ru+2].c1cnc2nc(-c3nccs3)ccc2c1.c1cnc2nc(-c3nccs3)ccc2c1
InChIInChI=1S/2C11H7N3S.4C2H3N.2C2H4O2.2ClHO4.2Ru/c2*1-2-8-3-4-9(11-13-6-7-15-11)14-10(8)12-5-1;4*1-2-3;2*1-2(3)4;2*2-1(3,4)5;;/h2*1-7H;4*1H3;2*1H3,(H,3,4);2*(H,2,3,4,5);;/q;;;;;;;;;;2*+2/p-4
InChIKeyASDORIQGBADUNW-UHFFFAOYSA-J
XLogP-4.38
TPSA437.24 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds2
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001109.87
LogP ≤ 5-4.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

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Related Compounds

Acetonitrile;2-(1,8-naphthyridin-2-yl)-1,3-thiazole;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate
CID 139141158
Bis(copper(1+));bis(2-(1,8-naphthyridin-2-yl)-1,3-thiazole);diperchlorate
CID 139170064
2-[2-[bis(carboxymethyl)amino]-N-(pyridin-2-ylmethyl)anilino]acetic acid;2-[2-[carboxymethyl(quinolin-2-ylmethyl)amino]ethyl-(quinolin-2-ylmethyl)amino]acetic acid;bis(iridium);ruthenium(2+);N,N,N'-tris[(2-methylimidazol-3-id-4-yl)methyl]-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 160932084
Bis(2-(1,8-naphthyridin-2-yl)-1,3-thiazole);bis(rhodium);bis(trifluoroborane);diacetate
CID 139170067

Frequently Asked Questions

What is the IUPAC name of tetrakis(acetonitrile);bis(2-(1,8-naphthyridin-2-yl)-1,3-thiazole);bis(ruthenium(2+));diacetate;diperchlorate?
The IUPAC name of tetrakis(acetonitrile);bis(2-(1,8-naphthyridin-2-yl)-1,3-thiazole);bis(ruthenium(2+));diacetate;diperchlorate (CID 139170066) is tetrakis(acetonitrile);bis(2-(1,8-naphthyridin-2-yl)-1,3-thiazole);bis(ruthenium(2+));diacetate;diperchlorate.
What is the SMILES notation for tetrakis(acetonitrile);bis(2-(1,8-naphthyridin-2-yl)-1,3-thiazole);bis(ruthenium(2+));diacetate;diperchlorate?
The canonical SMILES for tetrakis(acetonitrile);bis(2-(1,8-naphthyridin-2-yl)-1,3-thiazole);bis(ruthenium(2+));diacetate;diperchlorate is CC#N.CC#N.CC#N.CC#N.CC(=O)[O-].CC(=O)[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Ru+2].[Ru+2].c1cnc2nc(-c3nccs3)ccc2c1.c1cnc2nc(-c3nccs3)ccc2c1.
What is the InChIKey of tetrakis(acetonitrile);bis(2-(1,8-naphthyridin-2-yl)-1,3-thiazole);bis(ruthenium(2+));diacetate;diperchlorate?
The InChIKey is ASDORIQGBADUNW-UHFFFAOYSA-J. The full InChI is InChI=1S/2C11H7N3S.4C2H3N.2C2H4O2.2ClHO4.2Ru/c2*1-2-8-3-4-9(11-13-6-7-15-11)14-10(8)12-5-1;4*1-2-3;2*1-2(3)4;2*2-1(3,4)5;;/h2*1-7H;4*1H3;2*1H3,(H,3,4);2*(H,2,3,4,5);;/q;;;;;;;;;;2*+2/p-4.
What are the key properties of tetrakis(acetonitrile);bis(2-(1,8-naphthyridin-2-yl)-1,3-thiazole);bis(ruthenium(2+));diacetate;diperchlorate?
tetrakis(acetonitrile);bis(2-(1,8-naphthyridin-2-yl)-1,3-thiazole);bis(ruthenium(2+));diacetate;diperchlorate has a molecular weight of 1109.87 g/mol, XLogP of -4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(acetonitrile);bis(2-(1,8-naphthyridin-2-yl)-1,3-thiazole);bis(ruthenium(2+));diacetate;diperchlorate is sourced from PubChem (CID 139170066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).