1-[(E)-[(2E)-2-(carbamothioylhydrazinylidene)propylidene]amino]-3-methylthiourea;copper

C6H12CuN6S2 — CID 10469805

IUPAC1-[(E)-[(2E)-2-(carbamothioylhydrazinylidene)propylidene]amino]-3-methylthiourea;copper
SMILESCNC(=S)N/N=C/C(C)=N/NC(N)=S.[Cu]
InChIInChI=1S/C6H12N6S2.Cu/c1-4(10-11-5(7)13)3-9-12-6(14)8-2;/h3H,1-2H3,(H3,7,11,13)(H2,8,12,14);/b9-3+,10-4+;
InChIKeyYGZRZLRZQZWNQK-RUACYTINSA-N
MW295.88 g/mol
LogP-0.73
Rot. Bonds3

About 1-[(E)-[(2E)-2-(carbamothioylhydrazinylidene)propylidene]amino]-3-methylthiourea;copper

1-[(E)-[(2E)-2-(carbamothioylhydrazinylidene)propylidene]amino]-3-methylthiourea;copper (PubChem CID 10469805) has the molecular formula C6H12CuN6S2 and a molecular weight of 295.88 g/mol. Its IUPAC name is 1-[(E)-[(2E)-2-(carbamothioylhydrazinylidene)propylidene]amino]-3-methylthiourea;copper.

Molecular Properties

Compound Name1-[(E)-[(2E)-2-(carbamothioylhydrazinylidene)propylidene]amino]-3-methylthiourea;copper
PubChem CID10469805
Molecular FormulaC6H12CuN6S2
Molecular Weight295.88 g/mol
Exact Mass294.99
IUPAC Name1-[(E)-[(2E)-2-(carbamothioylhydrazinylidene)propylidene]amino]-3-methylthiourea;copper
SMILESCNC(=S)N/N=C/C(C)=N/NC(N)=S.[Cu]
InChIInChI=1S/C6H12N6S2.Cu/c1-4(10-11-5(7)13)3-9-12-6(14)8-2;/h3H,1-2H3,(H3,7,11,13)(H2,8,12,14);/b9-3+,10-4+;
InChIKeyYGZRZLRZQZWNQK-RUACYTINSA-N
XLogP-0.73
TPSA86.83 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 ≤ 5-0.73
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-ethyl-3-[(E)-[(2E)-2-(methylcarbamothioylhydrazinylidene)propylidene]amino]thiourea
CID 177393867
copper;1-methyl-3-[2-(methylcarbamothioylhydrazinylidene)ethylideneamino]thiourea
CID 72672069
1-[(Z)-[(1E)-1-[(N,N'-dimethylcarbamimidoyl)hydrazinylidene]propan-2-ylidene]amino]-2,3-dimethylguanidine
CID 54599915
1-methyl-3-[(Z)-[(2Z)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea
CID 6182895
copper(1+);1-methyl-3-[1-(methylcarbamothioylhydrazinylidene)propan-2-ylideneamino]thiourea
CID 87570295
3-[(Z)-[(1Z)-1-(dimethylcarbamothioylhydrazinylidene)propan-2-ylidene]amino]-1,1-dimethylthiourea
CID 6411976
1-(but-2-enylideneamino)-3-methylthiourea
CID 3644259
1-methyl-3-[3-(methylcarbamothioylhydrazinylidene)butan-2-ylideneamino]thiourea
CID 6399159
(3-methylbutan-2-ylideneamino)thiourea
CID 4209785
[(E)-[(1E)-1-(carbamothioylhydrazinylidene)pentan-2-ylidene]amino]thiourea
CID 23266274
(3-nitrosobutan-2-ylideneamino)thiourea
CID 54079980
1-methyl-3-[(Z)-2-oxoethylideneamino]thiourea
CID 102431292

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-[(2E)-2-(carbamothioylhydrazinylidene)propylidene]amino]-3-methylthiourea;copper?
The IUPAC name of 1-[(E)-[(2E)-2-(carbamothioylhydrazinylidene)propylidene]amino]-3-methylthiourea;copper (CID 10469805) is 1-[(E)-[(2E)-2-(carbamothioylhydrazinylidene)propylidene]amino]-3-methylthiourea;copper.
What is the SMILES notation for 1-[(E)-[(2E)-2-(carbamothioylhydrazinylidene)propylidene]amino]-3-methylthiourea;copper?
The canonical SMILES for 1-[(E)-[(2E)-2-(carbamothioylhydrazinylidene)propylidene]amino]-3-methylthiourea;copper is CNC(=S)N/N=C/C(C)=N/NC(N)=S.[Cu].
What is the InChIKey of 1-[(E)-[(2E)-2-(carbamothioylhydrazinylidene)propylidene]amino]-3-methylthiourea;copper?
The InChIKey is YGZRZLRZQZWNQK-RUACYTINSA-N. The full InChI is InChI=1S/C6H12N6S2.Cu/c1-4(10-11-5(7)13)3-9-12-6(14)8-2;/h3H,1-2H3,(H3,7,11,13)(H2,8,12,14);/b9-3+,10-4+;.
What are the key properties of 1-[(E)-[(2E)-2-(carbamothioylhydrazinylidene)propylidene]amino]-3-methylthiourea;copper?
1-[(E)-[(2E)-2-(carbamothioylhydrazinylidene)propylidene]amino]-3-methylthiourea;copper has a molecular weight of 295.88 g/mol, XLogP of -0.73, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[(2E)-2-(carbamothioylhydrazinylidene)propylidene]amino]-3-methylthiourea;copper is sourced from PubChem (CID 10469805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).