copper bis(N-ethyl-N-methylcarbamodithioate)

C8H16CuN2S4 — CID 18793600

IUPACcopper bis(N-ethyl-N-methylcarbamodithioate)
SMILESCCN(C)C(=S)[S-].CCN(C)C(=S)[S-].[Cu+2]
InChIInChI=1S/2C4H9NS2.Cu/c2*1-3-5(2)4(6)7;/h2*3H2,1-2H3,(H,6,7);/q;;+2/p-2
InChIKeyRPIHXQMCRSIBBH-UHFFFAOYSA-L
MW332.04 g/mol
LogP1.54
Rot. Bonds2

About copper bis(N-ethyl-N-methylcarbamodithioate)

copper bis(N-ethyl-N-methylcarbamodithioate) (PubChem CID 18793600) has the molecular formula C8H16CuN2S4 and a molecular weight of 332.04 g/mol. Its IUPAC name is copper bis(N-ethyl-N-methylcarbamodithioate).

Molecular Properties

Compound Namecopper bis(N-ethyl-N-methylcarbamodithioate)
PubChem CID18793600
Molecular FormulaC8H16CuN2S4
Molecular Weight332.04 g/mol
Exact Mass330.95
IUPAC Namecopper bis(N-ethyl-N-methylcarbamodithioate)
SMILESCCN(C)C(=S)[S-].CCN(C)C(=S)[S-].[Cu+2]
InChIInChI=1S/2C4H9NS2.Cu/c2*1-3-5(2)4(6)7;/h2*3H2,1-2H3,(H,6,7);/q;;+2/p-2
InChIKeyRPIHXQMCRSIBBH-UHFFFAOYSA-L
XLogP1.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.04
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

N,N-diethylcarbamodithioate
CID 28343
potassium N-methyl-N-(methylaminomethyl)carbamodithioate
CID 172768730
CID 171395735
CID 171395735
tris(N,N-diethylcarbamodithioate);ruthenium(3+)
CID 101036652
CID 19880505
CID 19880505
bis(N,N-diethylcarbamodithioate);tin(2+);chloride
CID 21124785
bis(N,N-diethylcarbamodithioate);tin(4+);chloride
CID 21124784
potassium N,N-dimethylcarbamodithioate
CID 23662387
tetrakis(N,N-dimethylcarbamodithioate);zirconium(4+)
CID 174384958
disodium bis(N,N-dimethylcarbamodithioate)
CID 160761819
bis(N-amino-N-ethylcarbamodithioate);nickel(2+)
CID 4589381
sodium 2-[methyl(sulfidocarbothioyl)amino]acetate
CID 102587922

Frequently Asked Questions

What is the IUPAC name of copper bis(N-ethyl-N-methylcarbamodithioate)?
The IUPAC name of copper bis(N-ethyl-N-methylcarbamodithioate) (CID 18793600) is copper bis(N-ethyl-N-methylcarbamodithioate).
What is the SMILES notation for copper bis(N-ethyl-N-methylcarbamodithioate)?
The canonical SMILES for copper bis(N-ethyl-N-methylcarbamodithioate) is CCN(C)C(=S)[S-].CCN(C)C(=S)[S-].[Cu+2].
What is the InChIKey of copper bis(N-ethyl-N-methylcarbamodithioate)?
The InChIKey is RPIHXQMCRSIBBH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H9NS2.Cu/c2*1-3-5(2)4(6)7;/h2*3H2,1-2H3,(H,6,7);/q;;+2/p-2.
What are the key properties of copper bis(N-ethyl-N-methylcarbamodithioate)?
copper bis(N-ethyl-N-methylcarbamodithioate) has a molecular weight of 332.04 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(N-ethyl-N-methylcarbamodithioate) is sourced from PubChem (CID 18793600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).