cadmium(2+);6-pyridin-2-ylpyridine-2-carbothioamide

C11H9CdN3S+2 — CID 20842770

IUPACcadmium(2+);6-pyridin-2-ylpyridine-2-carbothioamide
SMILESNC(=S)c1cccc(-c2ccccn2)n1.[Cd+2]
InChIInChI=1S/C11H9N3S.Cd/c12-11(15)10-6-3-5-9(14-10)8-4-1-2-7-13-8;/h1-7H,(H2,12,15);/q;+2
InChIKeyFFPSRZVRUWPLDJ-UHFFFAOYSA-N
MW327.69 g/mol
LogP1.78
Rot. Bonds2

About cadmium(2+);6-pyridin-2-ylpyridine-2-carbothioamide

cadmium(2+);6-pyridin-2-ylpyridine-2-carbothioamide (PubChem CID 20842770) has the molecular formula C11H9CdN3S+2 and a molecular weight of 327.69 g/mol. Its IUPAC name is cadmium(2+);6-pyridin-2-ylpyridine-2-carbothioamide.

Molecular Properties

Compound Namecadmium(2+);6-pyridin-2-ylpyridine-2-carbothioamide
PubChem CID20842770
Molecular FormulaC11H9CdN3S+2
Molecular Weight327.69 g/mol
Exact Mass328.95
IUPAC Namecadmium(2+);6-pyridin-2-ylpyridine-2-carbothioamide
SMILESNC(=S)c1cccc(-c2ccccn2)n1.[Cd+2]
InChIInChI=1S/C11H9N3S.Cd/c12-11(15)10-6-3-5-9(14-10)8-4-1-2-7-13-8;/h1-7H,(H2,12,15);/q;+2
InChIKeyFFPSRZVRUWPLDJ-UHFFFAOYSA-N
XLogP1.78
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.69
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-pyridin-2-ylpyridine-2-carbothioamide
CID 3034633
6-pyrimidin-2-ylpyridine-2-carbothioamide
CID 87690420
6-pyridin-2-ylpyridine-2-carboxamide
CID 12055775
6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide
CID 139045239
6-(4-nitro-2-pyridinyl)pyridine-2-carbothioamide
CID 3037634
pyridine-2-carbothioamide;hydrochloride
CID 57440257
ethane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-6-pyridin-2-ylpyridine
CID 142487989
6-(6-pyridin-2-ylpyridazin-3-yl)pyridin-2-amine
CID 143616941
1-(6-pyridin-2-yl-2-pyridinyl)but-2-yn-1-one
CID 135252428
6-aminopyridine-2-carbothioamide
CID 64589015
2,6-dipyridin-2-ylpyridine;iridium(3+);tricyanide
CID 58672256
2,6-dipyridin-2-ylpyridine;trichlorovanadium
CID 20784145

Frequently Asked Questions

What is the IUPAC name of cadmium(2+);6-pyridin-2-ylpyridine-2-carbothioamide?
The IUPAC name of cadmium(2+);6-pyridin-2-ylpyridine-2-carbothioamide (CID 20842770) is cadmium(2+);6-pyridin-2-ylpyridine-2-carbothioamide.
What is the SMILES notation for cadmium(2+);6-pyridin-2-ylpyridine-2-carbothioamide?
The canonical SMILES for cadmium(2+);6-pyridin-2-ylpyridine-2-carbothioamide is NC(=S)c1cccc(-c2ccccn2)n1.[Cd+2].
What is the InChIKey of cadmium(2+);6-pyridin-2-ylpyridine-2-carbothioamide?
The InChIKey is FFPSRZVRUWPLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S.Cd/c12-11(15)10-6-3-5-9(14-10)8-4-1-2-7-13-8;/h1-7H,(H2,12,15);/q;+2.
What are the key properties of cadmium(2+);6-pyridin-2-ylpyridine-2-carbothioamide?
cadmium(2+);6-pyridin-2-ylpyridine-2-carbothioamide has a molecular weight of 327.69 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium(2+);6-pyridin-2-ylpyridine-2-carbothioamide is sourced from PubChem (CID 20842770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).