dichloronickel;bis([(E)-thiophen-3-ylmethylideneamino]urea)

C12H14Cl2N6NiO2S2 — CID 86573341

IUPACdichloronickel;bis([(E)-thiophen-3-ylmethylideneamino]urea)
SMILESCl[Ni]Cl.NC(=O)N/N=C/c1ccsc1.NC(=O)N/N=C/c1ccsc1
InChIInChI=1S/2C6H7N3OS.2ClH.Ni/c2*7-6(10)9-8-3-5-1-2-11-4-5;;;/h2*1-4H,(H3,7,9,10);2*1H;/q;;;;+2/p-2/b2*8-3+;;;
InChIKeyFAMOINNZVUPPJM-BMWYDAMHSA-L
MW468.02 g/mol
LogP2.88
Rot. Bonds4

About dichloronickel;bis([(E)-thiophen-3-ylmethylideneamino]urea)

dichloronickel;bis([(E)-thiophen-3-ylmethylideneamino]urea) (PubChem CID 86573341) has the molecular formula C12H14Cl2N6NiO2S2 and a molecular weight of 468.02 g/mol. Its IUPAC name is dichloronickel;bis([(E)-thiophen-3-ylmethylideneamino]urea).

Molecular Properties

Compound Namedichloronickel;bis([(E)-thiophen-3-ylmethylideneamino]urea)
PubChem CID86573341
Molecular FormulaC12H14Cl2N6NiO2S2
Molecular Weight468.02 g/mol
Exact Mass465.94
IUPAC Namedichloronickel;bis([(E)-thiophen-3-ylmethylideneamino]urea)
SMILESCl[Ni]Cl.NC(=O)N/N=C/c1ccsc1.NC(=O)N/N=C/c1ccsc1
InChIInChI=1S/2C6H7N3OS.2ClH.Ni/c2*7-6(10)9-8-3-5-1-2-11-4-5;;;/h2*1-4H,(H3,7,9,10);2*1H;/q;;;;+2/p-2/b2*8-3+;;;
InChIKeyFAMOINNZVUPPJM-BMWYDAMHSA-L
XLogP2.88
TPSA134.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.02
LogP ≤ 52.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-(4-chlorophenyl)methylideneamino]urea
CID 6079769
[(E)-benzylideneamino]urea
CID 6861419
N-(thiophen-3-ylmethylideneamino)decanamide
CID 4640197
N-[(E)-thiophen-3-ylmethylideneamino]formamide
CID 6903063
2-pyridin-1-ium-1-yl-N-[(E)-thiophen-3-ylmethylideneamino]acetamide
CID 15703176
4-propan-2-yl-N-(thiophen-3-ylmethylideneamino)benzamide
CID 5155397
2,2-diphenoxy-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide
CID 5499251
[(4-bromothiophen-2-yl)methylideneamino]urea
CID 759069
N-(thiophen-3-ylmethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 3457585
4-[(carbamoylhydrazinylidene)methyl]benzoic acid
CID 2588651
2-(4-methylphenoxy)-N-(thiophen-3-ylmethylideneamino)acetamide
CID 4980484
4-(propanoylamino)-N-(thiophen-3-ylmethylideneamino)benzamide
CID 4980480

Frequently Asked Questions

What is the IUPAC name of dichloronickel;bis([(E)-thiophen-3-ylmethylideneamino]urea)?
The IUPAC name of dichloronickel;bis([(E)-thiophen-3-ylmethylideneamino]urea) (CID 86573341) is dichloronickel;bis([(E)-thiophen-3-ylmethylideneamino]urea).
What is the SMILES notation for dichloronickel;bis([(E)-thiophen-3-ylmethylideneamino]urea)?
The canonical SMILES for dichloronickel;bis([(E)-thiophen-3-ylmethylideneamino]urea) is Cl[Ni]Cl.NC(=O)N/N=C/c1ccsc1.NC(=O)N/N=C/c1ccsc1.
What is the InChIKey of dichloronickel;bis([(E)-thiophen-3-ylmethylideneamino]urea)?
The InChIKey is FAMOINNZVUPPJM-BMWYDAMHSA-L. The full InChI is InChI=1S/2C6H7N3OS.2ClH.Ni/c2*7-6(10)9-8-3-5-1-2-11-4-5;;;/h2*1-4H,(H3,7,9,10);2*1H;/q;;;;+2/p-2/b2*8-3+;;;.
What are the key properties of dichloronickel;bis([(E)-thiophen-3-ylmethylideneamino]urea)?
dichloronickel;bis([(E)-thiophen-3-ylmethylideneamino]urea) has a molecular weight of 468.02 g/mol, XLogP of 2.88, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dichloronickel;bis([(E)-thiophen-3-ylmethylideneamino]urea) is sourced from PubChem (CID 86573341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).