nickel(2+);propane-1-thiolate

C3H6NiS — CID 175709904

IUPACnickel(2+);propane-1-thiolate
SMILES[CH2-]CC[S-].[Ni+2]
InChIInChI=1S/C3H7S.Ni/c1-2-3-4;/h4H,1-3H2;/q-1;+2/p-1
InChIKeyRAIBLGGLVPHSHN-UHFFFAOYSA-M
MW132.84 g/mol
LogP0.75
Rot. Bonds1

About nickel(2+);propane-1-thiolate

nickel(2+);propane-1-thiolate (PubChem CID 175709904) has the molecular formula C3H6NiS and a molecular weight of 132.84 g/mol. Its IUPAC name is nickel(2+);propane-1-thiolate.

Molecular Properties

Compound Namenickel(2+);propane-1-thiolate
PubChem CID175709904
Molecular FormulaC3H6NiS
Molecular Weight132.84 g/mol
Exact Mass131.95
IUPAC Namenickel(2+);propane-1-thiolate
SMILES[CH2-]CC[S-].[Ni+2]
InChIInChI=1S/C3H7S.Ni/c1-2-3-4;/h4H,1-3H2;/q-1;+2/p-1
InChIKeyRAIBLGGLVPHSHN-UHFFFAOYSA-M
XLogP0.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.84
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

gold;bis(propane-1-thiolate)
CID 58602416
dibismuth;tris(ethane-1,2-dithiolate)
CID 15967182
butane;chromium(2+)
CID 175688495
butane;tris(yttrium)
CID 172500610
disodium;butane
CID 25150770
hexane;uranium
CID 163483777
hafnium(4+);propane;dihydroxide
CID 172837789
gadolinium(3+) trihydroxide
CID 14009573
propane;zirconium(4+);trihydroxide
CID 165042309
2-aminoethanethiolate
CID 14175586
2-methylpentane;zirconium(4+);trihydroxide
CID 172719510
butane;platinum(2+)
CID 85439871

Frequently Asked Questions

What is the IUPAC name of nickel(2+);propane-1-thiolate?
The IUPAC name of nickel(2+);propane-1-thiolate (CID 175709904) is nickel(2+);propane-1-thiolate.
What is the SMILES notation for nickel(2+);propane-1-thiolate?
The canonical SMILES for nickel(2+);propane-1-thiolate is [CH2-]CC[S-].[Ni+2].
What is the InChIKey of nickel(2+);propane-1-thiolate?
The InChIKey is RAIBLGGLVPHSHN-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7S.Ni/c1-2-3-4;/h4H,1-3H2;/q-1;+2/p-1.
What are the key properties of nickel(2+);propane-1-thiolate?
nickel(2+);propane-1-thiolate has a molecular weight of 132.84 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nickel(2+);propane-1-thiolate is sourced from PubChem (CID 175709904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).