cadmium(2+);bis(N-methyl-N-piperazin-1-ylcarbamodithioate)

C12H24CdN6S4 — CID 88526228

IUPACcadmium(2+);bis(N-methyl-N-piperazin-1-ylcarbamodithioate)
SMILESCN(C(=S)[S-])N1CCNCC1.CN(C(=S)[S-])N1CCNCC1.[Cd+2]
InChIInChI=1S/2C6H13N3S2.Cd/c2*1-8(6(10)11)9-4-2-7-3-5-9;/h2*7H,2-5H2,1H3,(H,10,11);/q;;+2/p-2
InChIKeySJYLKBITHCOUQS-UHFFFAOYSA-L
MW493.05 g/mol
LogP-0.86
Rot. Bonds2

About cadmium(2+);bis(N-methyl-N-piperazin-1-ylcarbamodithioate)

cadmium(2+);bis(N-methyl-N-piperazin-1-ylcarbamodithioate) (PubChem CID 88526228) has the molecular formula C12H24CdN6S4 and a molecular weight of 493.05 g/mol. Its IUPAC name is cadmium(2+);bis(N-methyl-N-piperazin-1-ylcarbamodithioate).

Molecular Properties

Compound Namecadmium(2+);bis(N-methyl-N-piperazin-1-ylcarbamodithioate)
PubChem CID88526228
Molecular FormulaC12H24CdN6S4
Molecular Weight493.05 g/mol
Exact Mass494.00
IUPAC Namecadmium(2+);bis(N-methyl-N-piperazin-1-ylcarbamodithioate)
SMILESCN(C(=S)[S-])N1CCNCC1.CN(C(=S)[S-])N1CCNCC1.[Cd+2]
InChIInChI=1S/2C6H13N3S2.Cd/c2*1-8(6(10)11)9-4-2-7-3-5-9;/h2*7H,2-5H2,1H3,(H,10,11);/q;;+2/p-2
InChIKeySJYLKBITHCOUQS-UHFFFAOYSA-L
XLogP-0.86
TPSA37.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.05
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

mercury(2+);bis(N-methyl-N-piperazin-1-ylcarbamodithioate)
CID 88526149
sodium;1-methylpiperazine;carbamodithioate
CID 23667321
sodium piperazine-1-carbodithioate
CID 23689359
dioxomolybdenum(2+);bis(N-[dithiocarboxy(piperazin-1-yl)amino]-N-pyrazolidin-1-ylcarbamodithioate)
CID 87511658
N,N-diethylpiperazine-1-carbothioamide
CID 82282428
sodium N-methyl-N-sulfanylcarbamodithioate
CID 172812180
N,N-dimethylpropan-2-amine;1-propan-2-ylpiperazine
CID 160682152
N-chloro-N-phenylpiperazin-1-amine
CID 87149844
N,N-dimethylformamide;piperazine-1-sulfonic acid
CID 158851569
N-tert-butyl-N-piperazin-1-ylcarbamate
CID 18449257
carbamothioylsulfanyl carbamodithioate;1-methylpiperazine
CID 175540702
N-methyl-N-(methylamino)piperazine-1-carboximidamide
CID 57371017

Frequently Asked Questions

What is the IUPAC name of cadmium(2+);bis(N-methyl-N-piperazin-1-ylcarbamodithioate)?
The IUPAC name of cadmium(2+);bis(N-methyl-N-piperazin-1-ylcarbamodithioate) (CID 88526228) is cadmium(2+);bis(N-methyl-N-piperazin-1-ylcarbamodithioate).
What is the SMILES notation for cadmium(2+);bis(N-methyl-N-piperazin-1-ylcarbamodithioate)?
The canonical SMILES for cadmium(2+);bis(N-methyl-N-piperazin-1-ylcarbamodithioate) is CN(C(=S)[S-])N1CCNCC1.CN(C(=S)[S-])N1CCNCC1.[Cd+2].
What is the InChIKey of cadmium(2+);bis(N-methyl-N-piperazin-1-ylcarbamodithioate)?
The InChIKey is SJYLKBITHCOUQS-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H13N3S2.Cd/c2*1-8(6(10)11)9-4-2-7-3-5-9;/h2*7H,2-5H2,1H3,(H,10,11);/q;;+2/p-2.
What are the key properties of cadmium(2+);bis(N-methyl-N-piperazin-1-ylcarbamodithioate)?
cadmium(2+);bis(N-methyl-N-piperazin-1-ylcarbamodithioate) has a molecular weight of 493.05 g/mol, XLogP of -0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium(2+);bis(N-methyl-N-piperazin-1-ylcarbamodithioate) is sourced from PubChem (CID 88526228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).