diaminomethylidenethiourea;nickel

C2H6N4NiS — CID 174934000

IUPACdiaminomethylidenethiourea;nickel
SMILESNC(=S)N=C(N)N.[Ni]
InChIInChI=1S/C2H6N4S.Ni/c3-1(4)6-2(5)7;/h(H6,3,4,5,6,7);
InChIKeyNWQFQGMEKOFAOC-UHFFFAOYSA-N
MW176.86 g/mol
LogP-1.50
Rot. Bonds

About diaminomethylidenethiourea;nickel

diaminomethylidenethiourea;nickel (PubChem CID 174934000) has the molecular formula C2H6N4NiS and a molecular weight of 176.86 g/mol. Its IUPAC name is diaminomethylidenethiourea;nickel.

Molecular Properties

Compound Namediaminomethylidenethiourea;nickel
PubChem CID174934000
Molecular FormulaC2H6N4NiS
Molecular Weight176.86 g/mol
Exact Mass175.97
IUPAC Namediaminomethylidenethiourea;nickel
SMILESNC(=S)N=C(N)N.[Ni]
InChIInChI=1S/C2H6N4S.Ni/c3-1(4)6-2(5)7;/h(H6,3,4,5,6,7);
InChIKeyNWQFQGMEKOFAOC-UHFFFAOYSA-N
XLogP-1.50
TPSA90.42 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.86
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze diaminomethylidenethiourea;nickel with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of diaminomethylidenethiourea;nickel?
The IUPAC name of diaminomethylidenethiourea;nickel (CID 174934000) is diaminomethylidenethiourea;nickel.
What is the SMILES notation for diaminomethylidenethiourea;nickel?
The canonical SMILES for diaminomethylidenethiourea;nickel is NC(=S)N=C(N)N.[Ni].
What is the InChIKey of diaminomethylidenethiourea;nickel?
The InChIKey is NWQFQGMEKOFAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N4S.Ni/c3-1(4)6-2(5)7;/h(H6,3,4,5,6,7);.
What are the key properties of diaminomethylidenethiourea;nickel?
diaminomethylidenethiourea;nickel has a molecular weight of 176.86 g/mol, XLogP of -1.50, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diaminomethylidenethiourea;nickel is sourced from PubChem (CID 174934000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).