cadmium(2+);bis(3-methylquinoline-2-thiolate)

C20H16CdN2S2 — CID 162181468

IUPACcadmium(2+);bis(3-methylquinoline-2-thiolate)
SMILESCc1cc2ccccc2nc1[S-].Cc1cc2ccccc2nc1[S-].[Cd+2]
InChIInChI=1S/2C10H9NS.Cd/c2*1-7-6-8-4-2-3-5-9(8)11-10(7)12;/h2*2-6H,1H3,(H,11,12);/q;;+2/p-2
InChIKeyZPBUAYOCKGHATK-UHFFFAOYSA-L
MW460.91 g/mol
LogP4.90
Rot. Bonds

About cadmium(2+);bis(3-methylquinoline-2-thiolate)

cadmium(2+);bis(3-methylquinoline-2-thiolate) (PubChem CID 162181468) has the molecular formula C20H16CdN2S2 and a molecular weight of 460.91 g/mol. Its IUPAC name is cadmium(2+);bis(3-methylquinoline-2-thiolate).

Molecular Properties

Compound Namecadmium(2+);bis(3-methylquinoline-2-thiolate)
PubChem CID162181468
Molecular FormulaC20H16CdN2S2
Molecular Weight460.91 g/mol
Exact Mass461.98
IUPAC Namecadmium(2+);bis(3-methylquinoline-2-thiolate)
SMILESCc1cc2ccccc2nc1[S-].Cc1cc2ccccc2nc1[S-].[Cd+2]
InChIInChI=1S/2C10H9NS.Cd/c2*1-7-6-8-4-2-3-5-9(8)11-10(7)12;/h2*2-6H,1H3,(H,11,12);/q;;+2/p-2
InChIKeyZPBUAYOCKGHATK-UHFFFAOYSA-L
XLogP4.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.91
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

acridine;ethane
CID 123684759
acridine
CID 21226281
3-methyl-2-[3-(3-methylquinolin-2-yl)phenyl]quinoline
CID 134841848
iridium;3-methyl-2-phenylquinoline
CID 174474394
2-(difluoromethyl)-3-methylquinoline
CID 154021471
3-methylquinoline-2-carbaldehyde
CID 22832126
1-N-methyl-4-N-(3-methylquinolin-2-yl)benzene-1,4-diamine
CID 154949074
2-(3,5-dimethylphenyl)-3-methylquinoline
CID 59273843
3-benzylquinoline-2-thiolate
CID 7383405
acridine;methane
CID 21324126
acridine;iron
CID 158030240
acridine;sulfane
CID 159134653

Frequently Asked Questions

What is the IUPAC name of cadmium(2+);bis(3-methylquinoline-2-thiolate)?
The IUPAC name of cadmium(2+);bis(3-methylquinoline-2-thiolate) (CID 162181468) is cadmium(2+);bis(3-methylquinoline-2-thiolate).
What is the SMILES notation for cadmium(2+);bis(3-methylquinoline-2-thiolate)?
The canonical SMILES for cadmium(2+);bis(3-methylquinoline-2-thiolate) is Cc1cc2ccccc2nc1[S-].Cc1cc2ccccc2nc1[S-].[Cd+2].
What is the InChIKey of cadmium(2+);bis(3-methylquinoline-2-thiolate)?
The InChIKey is ZPBUAYOCKGHATK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H9NS.Cd/c2*1-7-6-8-4-2-3-5-9(8)11-10(7)12;/h2*2-6H,1H3,(H,11,12);/q;;+2/p-2.
What are the key properties of cadmium(2+);bis(3-methylquinoline-2-thiolate)?
cadmium(2+);bis(3-methylquinoline-2-thiolate) has a molecular weight of 460.91 g/mol, XLogP of 4.90, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium(2+);bis(3-methylquinoline-2-thiolate) is sourced from PubChem (CID 162181468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).