bis(N-(dimethylamino)carbamothioate);nickel

C6H14N4NiO2S2-2 — CID 4519464

IUPACbis(N-(dimethylamino)carbamothioate);nickel
SMILESCN(C)NC(=O)[S-].CN(C)NC(=O)[S-].[Ni]
InChIInChI=1S/2C3H8N2OS.Ni/c2*1-5(2)4-3(6)7;/h2*1-2H3,(H2,4,6,7);/p-2
InChIKeyIFJKQWXKNZMPHF-UHFFFAOYSA-L
MW297.03 g/mol
LogP-0.56
Rot. Bonds2

About bis(N-(dimethylamino)carbamothioate);nickel

bis(N-(dimethylamino)carbamothioate);nickel (PubChem CID 4519464) has the molecular formula C6H14N4NiO2S2-2 and a molecular weight of 297.03 g/mol. Its IUPAC name is bis(N-(dimethylamino)carbamothioate);nickel.

Molecular Properties

Compound Namebis(N-(dimethylamino)carbamothioate);nickel
PubChem CID4519464
Molecular FormulaC6H14N4NiO2S2-2
Molecular Weight297.03 g/mol
Exact Mass295.99
IUPAC Namebis(N-(dimethylamino)carbamothioate);nickel
SMILESCN(C)NC(=O)[S-].CN(C)NC(=O)[S-].[Ni]
InChIInChI=1S/2C3H8N2OS.Ni/c2*1-5(2)4-3(6)7;/h2*1-2H3,(H2,4,6,7);/p-2
InChIKeyIFJKQWXKNZMPHF-UHFFFAOYSA-L
XLogP-0.56
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.03
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze bis(N-(dimethylamino)carbamothioate);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 bis(N-(dimethylamino)carbamothioate);nickel?
The IUPAC name of bis(N-(dimethylamino)carbamothioate);nickel (CID 4519464) is bis(N-(dimethylamino)carbamothioate);nickel.
What is the SMILES notation for bis(N-(dimethylamino)carbamothioate);nickel?
The canonical SMILES for bis(N-(dimethylamino)carbamothioate);nickel is CN(C)NC(=O)[S-].CN(C)NC(=O)[S-].[Ni].
What is the InChIKey of bis(N-(dimethylamino)carbamothioate);nickel?
The InChIKey is IFJKQWXKNZMPHF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C3H8N2OS.Ni/c2*1-5(2)4-3(6)7;/h2*1-2H3,(H2,4,6,7);/p-2.
What are the key properties of bis(N-(dimethylamino)carbamothioate);nickel?
bis(N-(dimethylamino)carbamothioate);nickel has a molecular weight of 297.03 g/mol, XLogP of -0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-(dimethylamino)carbamothioate);nickel is sourced from PubChem (CID 4519464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).