copper N-[1-(sulfidocarbothioylamino)ethyl]carbamodithioate

C4H6CuN2S4 — CID 141002094

IUPACcopper N-[1-(sulfidocarbothioylamino)ethyl]carbamodithioate
SMILESCC(NC(=S)[S-])NC(=S)[S-].[Cu+2]
InChIInChI=1S/C4H8N2S4.Cu/c1-2(5-3(7)8)6-4(9)10;/h2H,1H3,(H2,5,7,8)(H2,6,9,10);/q;+2/p-2
InChIKeyIOVNNSYXZPQZHR-UHFFFAOYSA-L
MW273.92 g/mol
LogP0.17
Rot. Bonds2

About copper N-[1-(sulfidocarbothioylamino)ethyl]carbamodithioate

copper N-[1-(sulfidocarbothioylamino)ethyl]carbamodithioate (PubChem CID 141002094) has the molecular formula C4H6CuN2S4 and a molecular weight of 273.92 g/mol. Its IUPAC name is copper N-[1-(sulfidocarbothioylamino)ethyl]carbamodithioate.

Molecular Properties

Compound Namecopper N-[1-(sulfidocarbothioylamino)ethyl]carbamodithioate
PubChem CID141002094
Molecular FormulaC4H6CuN2S4
Molecular Weight273.92 g/mol
Exact Mass272.87
IUPAC Namecopper N-[1-(sulfidocarbothioylamino)ethyl]carbamodithioate
SMILESCC(NC(=S)[S-])NC(=S)[S-].[Cu+2]
InChIInChI=1S/C4H8N2S4.Cu/c1-2(5-3(7)8)6-4(9)10;/h2H,1H3,(H2,5,7,8)(H2,6,9,10);/q;+2/p-2
InChIKeyIOVNNSYXZPQZHR-UHFFFAOYSA-L
XLogP0.17
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.92
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

tris(N-hexan-2-ylcarbamodithioate);indium(3+)
CID 159916706
sodium N-heptan-2-ylcarbamodithioate
CID 23720858
copper(1+);N-(1-ethenoxyethyl)carbamodithioate
CID 21156188
2-methylpropanedithioate
CID 19087069
potassium N-(1-phenylethyl)carbamodithioate
CID 23667328
copper bis(methoxymethanedithioate)
CID 88839532
zinc bis(N-(1-methoxypropyl)carbamodithioate)
CID 175426112
cobalt;tetramethylphosphanium
CID 175561525
N,N'-di(propan-2-yl)ethanedithioamide
CID 3032814
zinc N-[2-(dithiocarboxyamino)propyl]carbamodithioate
CID 159161097
zinc N-[1-(sulfidocarbothioylamino)propan-2-yl]carbamothioate
CID 21357618
N-[1-(methylamino)ethyl]ethanethioamide
CID 89174793

Frequently Asked Questions

What is the IUPAC name of copper N-[1-(sulfidocarbothioylamino)ethyl]carbamodithioate?
The IUPAC name of copper N-[1-(sulfidocarbothioylamino)ethyl]carbamodithioate (CID 141002094) is copper N-[1-(sulfidocarbothioylamino)ethyl]carbamodithioate.
What is the SMILES notation for copper N-[1-(sulfidocarbothioylamino)ethyl]carbamodithioate?
The canonical SMILES for copper N-[1-(sulfidocarbothioylamino)ethyl]carbamodithioate is CC(NC(=S)[S-])NC(=S)[S-].[Cu+2].
What is the InChIKey of copper N-[1-(sulfidocarbothioylamino)ethyl]carbamodithioate?
The InChIKey is IOVNNSYXZPQZHR-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H8N2S4.Cu/c1-2(5-3(7)8)6-4(9)10;/h2H,1H3,(H2,5,7,8)(H2,6,9,10);/q;+2/p-2.
What are the key properties of copper N-[1-(sulfidocarbothioylamino)ethyl]carbamodithioate?
copper N-[1-(sulfidocarbothioylamino)ethyl]carbamodithioate has a molecular weight of 273.92 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper N-[1-(sulfidocarbothioylamino)ethyl]carbamodithioate is sourced from PubChem (CID 141002094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).