copper;methyl N-[(6-methyl-2-pyridinyl)methylideneamino]carbamodithioate

C9H11CuN3S2 — CID 175779142

IUPACcopper;methyl N-[(6-methyl-2-pyridinyl)methylideneamino]carbamodithioate
SMILESCSC(=S)NN=Cc1cccc(C)n1.[Cu]
InChIInChI=1S/C9H11N3S2.Cu/c1-7-4-3-5-8(11-7)6-10-12-9(13)14-2;/h3-6H,1-2H3,(H,12,13);
InChIKeyFMWKYISQAUNVCT-UHFFFAOYSA-N
MW288.89 g/mol
LogP1.96
Rot. Bonds2

About copper;methyl N-[(6-methyl-2-pyridinyl)methylideneamino]carbamodithioate

copper;methyl N-[(6-methyl-2-pyridinyl)methylideneamino]carbamodithioate (PubChem CID 175779142) has the molecular formula C9H11CuN3S2 and a molecular weight of 288.89 g/mol. Its IUPAC name is copper;methyl N-[(6-methyl-2-pyridinyl)methylideneamino]carbamodithioate.

Molecular Properties

Compound Namecopper;methyl N-[(6-methyl-2-pyridinyl)methylideneamino]carbamodithioate
PubChem CID175779142
Molecular FormulaC9H11CuN3S2
Molecular Weight288.89 g/mol
Exact Mass287.97
IUPAC Namecopper;methyl N-[(6-methyl-2-pyridinyl)methylideneamino]carbamodithioate
SMILESCSC(=S)NN=Cc1cccc(C)n1.[Cu]
InChIInChI=1S/C9H11N3S2.Cu/c1-7-4-3-5-8(11-7)6-10-12-9(13)14-2;/h3-6H,1-2H3,(H,12,13);
InChIKeyFMWKYISQAUNVCT-UHFFFAOYSA-N
XLogP1.96
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.89
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper;methyl N-[(6-methyl-2-pyridinyl)methylideneamino]carbamodithioate?
The IUPAC name of copper;methyl N-[(6-methyl-2-pyridinyl)methylideneamino]carbamodithioate (CID 175779142) is copper;methyl N-[(6-methyl-2-pyridinyl)methylideneamino]carbamodithioate.
What is the SMILES notation for copper;methyl N-[(6-methyl-2-pyridinyl)methylideneamino]carbamodithioate?
The canonical SMILES for copper;methyl N-[(6-methyl-2-pyridinyl)methylideneamino]carbamodithioate is CSC(=S)NN=Cc1cccc(C)n1.[Cu].
What is the InChIKey of copper;methyl N-[(6-methyl-2-pyridinyl)methylideneamino]carbamodithioate?
The InChIKey is FMWKYISQAUNVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S2.Cu/c1-7-4-3-5-8(11-7)6-10-12-9(13)14-2;/h3-6H,1-2H3,(H,12,13);.
What are the key properties of copper;methyl N-[(6-methyl-2-pyridinyl)methylideneamino]carbamodithioate?
copper;methyl N-[(6-methyl-2-pyridinyl)methylideneamino]carbamodithioate has a molecular weight of 288.89 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;methyl N-[(6-methyl-2-pyridinyl)methylideneamino]carbamodithioate is sourced from PubChem (CID 175779142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).