chlorocopper;methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamodithioate

C14H13ClCuN3S2 — CID 50910622

IUPACchlorocopper;methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamodithioate
SMILESCSC(=S)NN=C(c1ccccc1)c1ccccn1.Cl[Cu]
InChIInChI=1S/C14H13N3S2.ClH.Cu/c1-19-14(18)17-16-13(11-7-3-2-4-8-11)12-9-5-6-10-15-12;;/h2-10H,1H3,(H,17,18);1H;/q;;+1/p-1
InChIKeyLIWTWVIZKWXJLZ-UHFFFAOYSA-M
MW386.41 g/mol
LogP3.76
Rot. Bonds3

About chlorocopper;methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamodithioate

chlorocopper;methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamodithioate (PubChem CID 50910622) has the molecular formula C14H13ClCuN3S2 and a molecular weight of 386.41 g/mol. Its IUPAC name is chlorocopper;methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamodithioate.

Molecular Properties

Compound Namechlorocopper;methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamodithioate
PubChem CID50910622
Molecular FormulaC14H13ClCuN3S2
Molecular Weight386.41 g/mol
Exact Mass384.95
IUPAC Namechlorocopper;methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamodithioate
SMILESCSC(=S)NN=C(c1ccccc1)c1ccccn1.Cl[Cu]
InChIInChI=1S/C14H13N3S2.ClH.Cu/c1-19-14(18)17-16-13(11-7-3-2-4-8-11)12-9-5-6-10-15-12;;/h2-10H,1H3,(H,17,18);1H;/q;;+1/p-1
InChIKeyLIWTWVIZKWXJLZ-UHFFFAOYSA-M
XLogP3.76
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.76
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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Related Compounds

cobalt;bis(methyl N-(benzhydrylideneamino)carbamodithioate)
CID 50910839
1-ethyl-3-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]thiourea
CID 6509755
dichlororhodium;methyl N-(1-pyridin-2-ylethylideneamino)carbamodithioate;hydroxide
CID 50911516
1-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-3-propylthiourea
CID 10069308
dichlorocopper;1,1-diethyl-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea
CID 3005727
methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamate
CID 5103078
1-cyclohepta-1,3,5-trien-1-yl-3-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]thiourea
CID 143919676
(NZ)-N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine
CID 135427108
4-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 4586185
1-(3-chlorophenyl)-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea
CID 3005029
bis(N'-ethyl-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]carbamimidothioate);iron(2+)
CID 16749582
ethyl N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]carbamate
CID 6022033

Frequently Asked Questions

What is the IUPAC name of chlorocopper;methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamodithioate?
The IUPAC name of chlorocopper;methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamodithioate (CID 50910622) is chlorocopper;methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamodithioate.
What is the SMILES notation for chlorocopper;methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamodithioate?
The canonical SMILES for chlorocopper;methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamodithioate is CSC(=S)NN=C(c1ccccc1)c1ccccn1.Cl[Cu].
What is the InChIKey of chlorocopper;methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamodithioate?
The InChIKey is LIWTWVIZKWXJLZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H13N3S2.ClH.Cu/c1-19-14(18)17-16-13(11-7-3-2-4-8-11)12-9-5-6-10-15-12;;/h2-10H,1H3,(H,17,18);1H;/q;;+1/p-1.
What are the key properties of chlorocopper;methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamodithioate?
chlorocopper;methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamodithioate has a molecular weight of 386.41 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chlorocopper;methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamodithioate is sourced from PubChem (CID 50910622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).