bis(2-aminoethanethiol);nickel(2+)

C4H14N2NiS2+2 — CID 19773887

IUPACbis(2-aminoethanethiol);nickel(2+)
SMILESNCCS.NCCS.[Ni+2]
InChIInChI=1S/2C2H7NS.Ni/c2*3-1-2-4;/h2*4H,1-3H2;/q;;+2
InChIKeyARAQDPTUMIDDHU-UHFFFAOYSA-N
MW213.00 g/mol
LogP-0.25
Rot. Bonds2

About bis(2-aminoethanethiol);nickel(2+)

bis(2-aminoethanethiol);nickel(2+) (PubChem CID 19773887) has the molecular formula C4H14N2NiS2+2 and a molecular weight of 213.00 g/mol. Its IUPAC name is bis(2-aminoethanethiol);nickel(2+).

Molecular Properties

Compound Namebis(2-aminoethanethiol);nickel(2+)
PubChem CID19773887
Molecular FormulaC4H14N2NiS2+2
Molecular Weight213.00 g/mol
Exact Mass211.99
IUPAC Namebis(2-aminoethanethiol);nickel(2+)
SMILESNCCS.NCCS.[Ni+2]
InChIInChI=1S/2C2H7NS.Ni/c2*3-1-2-4;/h2*4H,1-3H2;/q;;+2
InChIKeyARAQDPTUMIDDHU-UHFFFAOYSA-N
XLogP-0.25
TPSA52.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.00
LogP ≤ 5-0.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze bis(2-aminoethanethiol);nickel(2+) with MolForge

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

Launch Full Analysis

Related Compounds

2-aminoethanethiol;dichloromethane
CID 174817239
acetaldehyde;2-aminoethanethiol
CID 159451967
2-aminoethanethiol;urea;hydrochloride
CID 175056762
sodium;2-aminoethanethiol;phosphoric acid
CID 23615661
bis(3-aminopropane-1-thiol);hydrate
CID 18625286
6-aminohexane-1-thiol
CID 12841471
33-aminotritriacontane-1-thiol
CID 87682293
2-aminoethanethiol;prop-2-enoic acid
CID 159161663
6-aminohexane-1-thiol;hydrochloride
CID 22274759
2-aminoethanethiol;2-(diethylamino)ethanethiol;dihydrochloride
CID 174516424
2-aminoethanethiol;furan-2,5-dione
CID 174187998
2-(2-aminoethylsulfanyl)ethanethiol
CID 12539289

Frequently Asked Questions

What is the IUPAC name of bis(2-aminoethanethiol);nickel(2+)?
The IUPAC name of bis(2-aminoethanethiol);nickel(2+) (CID 19773887) is bis(2-aminoethanethiol);nickel(2+).
What is the SMILES notation for bis(2-aminoethanethiol);nickel(2+)?
The canonical SMILES for bis(2-aminoethanethiol);nickel(2+) is NCCS.NCCS.[Ni+2].
What is the InChIKey of bis(2-aminoethanethiol);nickel(2+)?
The InChIKey is ARAQDPTUMIDDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H7NS.Ni/c2*3-1-2-4;/h2*4H,1-3H2;/q;;+2.
What are the key properties of bis(2-aminoethanethiol);nickel(2+)?
bis(2-aminoethanethiol);nickel(2+) has a molecular weight of 213.00 g/mol, XLogP of -0.25, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-aminoethanethiol);nickel(2+) is sourced from PubChem (CID 19773887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).