CID 175474603

H4AlCo2NiS4- — CID 175474603

IUPAC—
SMILES[AlH3].[Co].[Co].[Ni].[S-]SSS
InChIInChI=1S/Al.2Co.Ni.H2S4.3H/c;;;;1-3-4-2;;;/h;;;;1-2H;;;/p-1
InChIKeyIEJXHZBUFBQNSL-UHFFFAOYSA-M
MW335.84 g/mol
LogP0.48
Rot. Bonds1

About CID 175474603

CID 175474603 (PubChem CID 175474603) has the molecular formula H4AlCo2NiS4- and a molecular weight of 335.84 g/mol.

Molecular Properties

Compound NameCID 175474603
PubChem CID175474603
Molecular FormulaH4AlCo2NiS4-
Molecular Weight335.84 g/mol
Exact Mass334.70
IUPAC Name—
SMILES[AlH3].[Co].[Co].[Ni].[S-]SSS
InChIInChI=1S/Al.2Co.Ni.H2S4.3H/c;;;;1-3-4-2;;;/h;;;;1-2H;;;/p-1
InChIKeyIEJXHZBUFBQNSL-UHFFFAOYSA-M
XLogP0.48
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 175474603?
The IUPAC name of CID 175474603 (CID 175474603) is not available.
What is the SMILES notation for CID 175474603?
The canonical SMILES for CID 175474603 is [AlH3].[Co].[Co].[Ni].[S-]SSS.
What is the InChIKey of CID 175474603?
The InChIKey is IEJXHZBUFBQNSL-UHFFFAOYSA-M. The full InChI is InChI=1S/Al.2Co.Ni.H2S4.3H/c;;;;1-3-4-2;;;/h;;;;1-2H;;;/p-1.
What are the key properties of CID 175474603?
CID 175474603 has a molecular weight of 335.84 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175474603 is sourced from PubChem (CID 175474603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).