copper;1-methyl-3-[2-(methylcarbamothioylhydrazinylidene)ethylideneamino]thiourea

C6H12CuN6S2 — CID 72672069

IUPACcopper;1-methyl-3-[2-(methylcarbamothioylhydrazinylidene)ethylideneamino]thiourea
SMILESCNC(=S)NN=CC=NNC(=S)NC.[Cu]
InChIInChI=1S/C6H12N6S2.Cu/c1-7-5(13)11-9-3-4-10-12-6(14)8-2;/h3-4H,1-2H3,(H2,7,11,13)(H2,8,12,14);
InChIKeyMNLAJDKBIQOELG-UHFFFAOYSA-N
MW295.88 g/mol
LogP-0.86
Rot. Bonds3

About copper;1-methyl-3-[2-(methylcarbamothioylhydrazinylidene)ethylideneamino]thiourea

copper;1-methyl-3-[2-(methylcarbamothioylhydrazinylidene)ethylideneamino]thiourea (PubChem CID 72672069) has the molecular formula C6H12CuN6S2 and a molecular weight of 295.88 g/mol. Its IUPAC name is copper;1-methyl-3-[2-(methylcarbamothioylhydrazinylidene)ethylideneamino]thiourea.

Molecular Properties

Compound Namecopper;1-methyl-3-[2-(methylcarbamothioylhydrazinylidene)ethylideneamino]thiourea
PubChem CID72672069
Molecular FormulaC6H12CuN6S2
Molecular Weight295.88 g/mol
Exact Mass294.99
IUPAC Namecopper;1-methyl-3-[2-(methylcarbamothioylhydrazinylidene)ethylideneamino]thiourea
SMILESCNC(=S)NN=CC=NNC(=S)NC.[Cu]
InChIInChI=1S/C6H12N6S2.Cu/c1-7-5(13)11-9-3-4-10-12-6(14)8-2;/h3-4H,1-2H3,(H2,7,11,13)(H2,8,12,14);
InChIKeyMNLAJDKBIQOELG-UHFFFAOYSA-N
XLogP-0.86
TPSA72.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.88
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
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

1-methyl-3-[(Z)-[(2Z)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea
CID 6182895
1-(but-2-enylideneamino)-3-methylthiourea
CID 3644259
1-methyl-3-[(Z)-2-oxoethylideneamino]thiourea
CID 102431292
1-ethyl-3-[(E)-[(2E)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea
CID 24951716
1-tert-butyl-3-[2-(tert-butylcarbamothioylhydrazinylidene)ethylideneamino]thiourea
CID 2725287
1-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-methylthiourea
CID 9071920
1-[(E)-[(2E)-2-(carbamothioylhydrazinylidene)propylidene]amino]-3-methylthiourea;copper
CID 10469805
copper(1+);1-methyl-3-[1-(methylcarbamothioylhydrazinylidene)propan-2-ylideneamino]thiourea
CID 87570295
1,3-dimethylthiourea
CID 159246165
1-methyl-3-[(E)-[3-[(E)-(methylcarbamothioylhydrazinylidene)methyl]phenyl]methylideneamino]thiourea
CID 6903322
1-methyl-3-[3-(methylcarbamothioylhydrazinylidene)butan-2-ylideneamino]thiourea
CID 6399159
1-[(4-fluorophenyl)methylideneamino]-3-methylthiourea
CID 3426780

Frequently Asked Questions

What is the IUPAC name of copper;1-methyl-3-[2-(methylcarbamothioylhydrazinylidene)ethylideneamino]thiourea?
The IUPAC name of copper;1-methyl-3-[2-(methylcarbamothioylhydrazinylidene)ethylideneamino]thiourea (CID 72672069) is copper;1-methyl-3-[2-(methylcarbamothioylhydrazinylidene)ethylideneamino]thiourea.
What is the SMILES notation for copper;1-methyl-3-[2-(methylcarbamothioylhydrazinylidene)ethylideneamino]thiourea?
The canonical SMILES for copper;1-methyl-3-[2-(methylcarbamothioylhydrazinylidene)ethylideneamino]thiourea is CNC(=S)NN=CC=NNC(=S)NC.[Cu].
What is the InChIKey of copper;1-methyl-3-[2-(methylcarbamothioylhydrazinylidene)ethylideneamino]thiourea?
The InChIKey is MNLAJDKBIQOELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N6S2.Cu/c1-7-5(13)11-9-3-4-10-12-6(14)8-2;/h3-4H,1-2H3,(H2,7,11,13)(H2,8,12,14);.
What are the key properties of copper;1-methyl-3-[2-(methylcarbamothioylhydrazinylidene)ethylideneamino]thiourea?
copper;1-methyl-3-[2-(methylcarbamothioylhydrazinylidene)ethylideneamino]thiourea has a molecular weight of 295.88 g/mol, XLogP of -0.86, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;1-methyl-3-[2-(methylcarbamothioylhydrazinylidene)ethylideneamino]thiourea is sourced from PubChem (CID 72672069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).