copper-64;1-ethyl-3-[(Z)-[(3E)-3-(ethylcarbamothioylhydrazinylidene)butan-2-ylidene]amino]thiourea

C10H20CuN6S2 — CID 10450672

IUPACcopper-64;1-ethyl-3-[(Z)-[(3E)-3-(ethylcarbamothioylhydrazinylidene)butan-2-ylidene]amino]thiourea
SMILESCCNC(=S)N/N=C(C)\C(C)=N\NC(=S)NCC.[64Cu]
InChIInChI=1S/C10H20N6S2.Cu/c1-5-11-9(17)15-13-7(3)8(4)14-16-10(18)12-6-2;/h5-6H2,1-4H3,(H2,11,15,17)(H2,12,16,18);/b13-7-,14-8+;/i;1+0
InChIKeyAFQUBXKHFUSHKY-BKYVZOTBSA-N
MW352.38 g/mol
LogP0.70
Rot. Bonds5

About copper-64;1-ethyl-3-[(Z)-[(3E)-3-(ethylcarbamothioylhydrazinylidene)butan-2-ylidene]amino]thiourea

copper-64;1-ethyl-3-[(Z)-[(3E)-3-(ethylcarbamothioylhydrazinylidene)butan-2-ylidene]amino]thiourea (PubChem CID 10450672) has the molecular formula C10H20CuN6S2 and a molecular weight of 352.38 g/mol. Its IUPAC name is copper-64;1-ethyl-3-[(Z)-[(3E)-3-(ethylcarbamothioylhydrazinylidene)butan-2-ylidene]amino]thiourea.

Molecular Properties

Compound Namecopper-64;1-ethyl-3-[(Z)-[(3E)-3-(ethylcarbamothioylhydrazinylidene)butan-2-ylidene]amino]thiourea
PubChem CID10450672
Molecular FormulaC10H20CuN6S2
Molecular Weight352.38 g/mol
Exact Mass352.05
IUPAC Namecopper-64;1-ethyl-3-[(Z)-[(3E)-3-(ethylcarbamothioylhydrazinylidene)butan-2-ylidene]amino]thiourea
SMILESCCNC(=S)N/N=C(C)\C(C)=N\NC(=S)NCC.[64Cu]
InChIInChI=1S/C10H20N6S2.Cu/c1-5-11-9(17)15-13-7(3)8(4)14-16-10(18)12-6-2;/h5-6H2,1-4H3,(H2,11,15,17)(H2,12,16,18);/b13-7-,14-8+;/i;1+0
InChIKeyAFQUBXKHFUSHKY-BKYVZOTBSA-N
XLogP0.70
TPSA72.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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

1-methyl-3-[3-(methylcarbamothioylhydrazinylidene)butan-2-ylideneamino]thiourea
CID 6399159
1-ethyl-3-[(E)-[(2E)-2-(methylcarbamothioylhydrazinylidene)propylidene]amino]thiourea
CID 177393867
1-ethyl-3-[(E)-[(1E)-1-(ethylcarbamothioylhydrazinylidene)-1-morpholin-2-ylpropan-2-ylidene]amino]thiourea
CID 162740752
(2Z)-2-(ethylcarbamothioylhydrazinylidene)pentanedioic acid
CID 101362014
1-[(E)-[(3E)-1-(3,5-dimethylpyrazol-1-yl)-3-(ethylcarbamothioylhydrazinylidene)butan-2-ylidene]amino]-3-ethylthiourea
CID 162740731
1-[2-(dimethylamino)ethyl]-3-[3-(methylcarbamothioylhydrazinylidene)butan-2-ylideneamino]thiourea
CID 75180990
1-ethyl-3-[[1-pyrimidin-2-yl-2-(2,2,2-trifluoroethylcarbamothioylhydrazinylidene)propylidene]amino]thiourea
CID 159644018
1-[[1-(4-bromophenyl)-2-(ethylcarbamothioylhydrazinylidene)propylidene]amino]-3-(2,2,2-trifluoroethyl)thiourea
CID 153080280
1-ethyl-3-[1-(3-fluorophenyl)ethylideneamino]thiourea
CID 5108326
copper 1-ethyl-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 50910440
1-ethyl-3-[(E)-[(2E)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea
CID 24951716
1-ethyl-3-[(Z)-[(1Z)-1-(ethylcarbamothioylhydrazinylidene)-1-(4-methylsulfonylmorpholin-2-yl)propan-2-ylidene]amino]thiourea
CID 162740764

Frequently Asked Questions

What is the IUPAC name of copper-64;1-ethyl-3-[(Z)-[(3E)-3-(ethylcarbamothioylhydrazinylidene)butan-2-ylidene]amino]thiourea?
The IUPAC name of copper-64;1-ethyl-3-[(Z)-[(3E)-3-(ethylcarbamothioylhydrazinylidene)butan-2-ylidene]amino]thiourea (CID 10450672) is copper-64;1-ethyl-3-[(Z)-[(3E)-3-(ethylcarbamothioylhydrazinylidene)butan-2-ylidene]amino]thiourea.
What is the SMILES notation for copper-64;1-ethyl-3-[(Z)-[(3E)-3-(ethylcarbamothioylhydrazinylidene)butan-2-ylidene]amino]thiourea?
The canonical SMILES for copper-64;1-ethyl-3-[(Z)-[(3E)-3-(ethylcarbamothioylhydrazinylidene)butan-2-ylidene]amino]thiourea is CCNC(=S)N/N=C(C)\C(C)=N\NC(=S)NCC.[64Cu].
What is the InChIKey of copper-64;1-ethyl-3-[(Z)-[(3E)-3-(ethylcarbamothioylhydrazinylidene)butan-2-ylidene]amino]thiourea?
The InChIKey is AFQUBXKHFUSHKY-BKYVZOTBSA-N. The full InChI is InChI=1S/C10H20N6S2.Cu/c1-5-11-9(17)15-13-7(3)8(4)14-16-10(18)12-6-2;/h5-6H2,1-4H3,(H2,11,15,17)(H2,12,16,18);/b13-7-,14-8+;/i;1+0.
What are the key properties of copper-64;1-ethyl-3-[(Z)-[(3E)-3-(ethylcarbamothioylhydrazinylidene)butan-2-ylidene]amino]thiourea?
copper-64;1-ethyl-3-[(Z)-[(3E)-3-(ethylcarbamothioylhydrazinylidene)butan-2-ylidene]amino]thiourea has a molecular weight of 352.38 g/mol, XLogP of 0.70, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper-64;1-ethyl-3-[(Z)-[(3E)-3-(ethylcarbamothioylhydrazinylidene)butan-2-ylidene]amino]thiourea is sourced from PubChem (CID 10450672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).