copper(1+);1-methyl-3-[1-(methylcarbamothioylhydrazinylidene)propan-2-ylideneamino]thiourea

C7H13CuN6S2 — CID 87570295

IUPACcopper(1+);1-methyl-3-[1-(methylcarbamothioylhydrazinylidene)propan-2-ylideneamino]thiourea
SMILES[CH2-]C(C=NNC(=S)NC)=NNC(=S)NC.[Cu+]
InChIInChI=1S/C7H13N6S2.Cu/c1-5(11-13-7(15)9-3)4-10-12-6(14)8-2;/h4H,1H2,2-3H3,(H2,8,12,14)(H2,9,13,15);/q-1;+1
InChIKeyMZAJRIQNAUYENA-UHFFFAOYSA-N
MW308.90 g/mol
LogP-0.65
Rot. Bonds3

About copper(1+);1-methyl-3-[1-(methylcarbamothioylhydrazinylidene)propan-2-ylideneamino]thiourea

copper(1+);1-methyl-3-[1-(methylcarbamothioylhydrazinylidene)propan-2-ylideneamino]thiourea (PubChem CID 87570295) has the molecular formula C7H13CuN6S2 and a molecular weight of 308.90 g/mol. Its IUPAC name is copper(1+);1-methyl-3-[1-(methylcarbamothioylhydrazinylidene)propan-2-ylideneamino]thiourea.

Molecular Properties

Compound Namecopper(1+);1-methyl-3-[1-(methylcarbamothioylhydrazinylidene)propan-2-ylideneamino]thiourea
PubChem CID87570295
Molecular FormulaC7H13CuN6S2
Molecular Weight308.90 g/mol
Exact Mass307.99
IUPAC Namecopper(1+);1-methyl-3-[1-(methylcarbamothioylhydrazinylidene)propan-2-ylideneamino]thiourea
SMILES[CH2-]C(C=NNC(=S)NC)=NNC(=S)NC.[Cu+]
InChIInChI=1S/C7H13N6S2.Cu/c1-5(11-13-7(15)9-3)4-10-12-6(14)8-2;/h4H,1H2,2-3H3,(H2,8,12,14)(H2,9,13,15);/q-1;+1
InChIKeyMZAJRIQNAUYENA-UHFFFAOYSA-N
XLogP-0.65
TPSA72.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.90
LogP ≤ 5-0.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', '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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Frequently Asked Questions

What is the IUPAC name of copper(1+);1-methyl-3-[1-(methylcarbamothioylhydrazinylidene)propan-2-ylideneamino]thiourea?
The IUPAC name of copper(1+);1-methyl-3-[1-(methylcarbamothioylhydrazinylidene)propan-2-ylideneamino]thiourea (CID 87570295) is copper(1+);1-methyl-3-[1-(methylcarbamothioylhydrazinylidene)propan-2-ylideneamino]thiourea.
What is the SMILES notation for copper(1+);1-methyl-3-[1-(methylcarbamothioylhydrazinylidene)propan-2-ylideneamino]thiourea?
The canonical SMILES for copper(1+);1-methyl-3-[1-(methylcarbamothioylhydrazinylidene)propan-2-ylideneamino]thiourea is [CH2-]C(C=NNC(=S)NC)=NNC(=S)NC.[Cu+].
What is the InChIKey of copper(1+);1-methyl-3-[1-(methylcarbamothioylhydrazinylidene)propan-2-ylideneamino]thiourea?
The InChIKey is MZAJRIQNAUYENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N6S2.Cu/c1-5(11-13-7(15)9-3)4-10-12-6(14)8-2;/h4H,1H2,2-3H3,(H2,8,12,14)(H2,9,13,15);/q-1;+1.
What are the key properties of copper(1+);1-methyl-3-[1-(methylcarbamothioylhydrazinylidene)propan-2-ylideneamino]thiourea?
copper(1+);1-methyl-3-[1-(methylcarbamothioylhydrazinylidene)propan-2-ylideneamino]thiourea has a molecular weight of 308.90 g/mol, XLogP of -0.65, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);1-methyl-3-[1-(methylcarbamothioylhydrazinylidene)propan-2-ylideneamino]thiourea is sourced from PubChem (CID 87570295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).