[(E)-furan-2-ylmethylideneamino]urea;manganese;N'-[(E)-1-thiophen-2-ylethylideneamino]carbamimidothioate

C13H15MnN6O2S2- — CID 10668990

IUPAC[(E)-furan-2-ylmethylideneamino]urea;manganese;N'-[(E)-1-thiophen-2-ylethylideneamino]carbamimidothioate
SMILESC/C(=N\N=C(/N)[S-])c1cccs1.NC(=O)N/N=C/c1ccco1.[Mn]
InChIInChI=1S/C7H9N3S2.C6H7N3O2.Mn/c1-5(9-10-7(8)11)6-3-2-4-12-6;7-6(10)9-8-4-5-2-1-3-11-5;/h2-4H,1H3,(H3,8,10,11);1-4H,(H3,7,9,10);/p-1/b9-5+;8-4+;
InChIKeyJSTUTYCCNVWTLI-NROXSSMCSA-M
MW406.38 g/mol
LogP1.61
Rot. Bonds4

About [(E)-furan-2-ylmethylideneamino]urea;manganese;N'-[(E)-1-thiophen-2-ylethylideneamino]carbamimidothioate

[(E)-furan-2-ylmethylideneamino]urea;manganese;N'-[(E)-1-thiophen-2-ylethylideneamino]carbamimidothioate (PubChem CID 10668990) has the molecular formula C13H15MnN6O2S2- and a molecular weight of 406.38 g/mol. Its IUPAC name is [(E)-furan-2-ylmethylideneamino]urea;manganese;N'-[(E)-1-thiophen-2-ylethylideneamino]carbamimidothioate.

Molecular Properties

Compound Name[(E)-furan-2-ylmethylideneamino]urea;manganese;N'-[(E)-1-thiophen-2-ylethylideneamino]carbamimidothioate
PubChem CID10668990
Molecular FormulaC13H15MnN6O2S2-
Molecular Weight406.38 g/mol
Exact Mass406.01
IUPAC Name[(E)-furan-2-ylmethylideneamino]urea;manganese;N'-[(E)-1-thiophen-2-ylethylideneamino]carbamimidothioate
SMILESC/C(=N\N=C(/N)[S-])c1cccs1.NC(=O)N/N=C/c1ccco1.[Mn]
InChIInChI=1S/C7H9N3S2.C6H7N3O2.Mn/c1-5(9-10-7(8)11)6-3-2-4-12-6;7-6(10)9-8-4-5-2-1-3-11-5;/h2-4H,1H3,(H3,8,10,11);1-4H,(H3,7,9,10);/p-1/b9-5+;8-4+;
InChIKeyJSTUTYCCNVWTLI-NROXSSMCSA-M
XLogP1.61
TPSA131.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.38
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-furan-2-ylmethylideneamino]urea;manganese;N'-[(E)-1-thiophen-2-ylethylideneamino]carbamimidothioate?
The IUPAC name of [(E)-furan-2-ylmethylideneamino]urea;manganese;N'-[(E)-1-thiophen-2-ylethylideneamino]carbamimidothioate (CID 10668990) is [(E)-furan-2-ylmethylideneamino]urea;manganese;N'-[(E)-1-thiophen-2-ylethylideneamino]carbamimidothioate.
What is the SMILES notation for [(E)-furan-2-ylmethylideneamino]urea;manganese;N'-[(E)-1-thiophen-2-ylethylideneamino]carbamimidothioate?
The canonical SMILES for [(E)-furan-2-ylmethylideneamino]urea;manganese;N'-[(E)-1-thiophen-2-ylethylideneamino]carbamimidothioate is C/C(=N\N=C(/N)[S-])c1cccs1.NC(=O)N/N=C/c1ccco1.[Mn].
What is the InChIKey of [(E)-furan-2-ylmethylideneamino]urea;manganese;N'-[(E)-1-thiophen-2-ylethylideneamino]carbamimidothioate?
The InChIKey is JSTUTYCCNVWTLI-NROXSSMCSA-M. The full InChI is InChI=1S/C7H9N3S2.C6H7N3O2.Mn/c1-5(9-10-7(8)11)6-3-2-4-12-6;7-6(10)9-8-4-5-2-1-3-11-5;/h2-4H,1H3,(H3,8,10,11);1-4H,(H3,7,9,10);/p-1/b9-5+;8-4+;.
What are the key properties of [(E)-furan-2-ylmethylideneamino]urea;manganese;N'-[(E)-1-thiophen-2-ylethylideneamino]carbamimidothioate?
[(E)-furan-2-ylmethylideneamino]urea;manganese;N'-[(E)-1-thiophen-2-ylethylideneamino]carbamimidothioate has a molecular weight of 406.38 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-furan-2-ylmethylideneamino]urea;manganese;N'-[(E)-1-thiophen-2-ylethylideneamino]carbamimidothioate is sourced from PubChem (CID 10668990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).