CID 160636812

H2BNiS — CID 160636812

IUPAC—
SMILESS.[B].[Ni]
InChIInChI=1S/B.Ni.H2S/h;;1H2
InChIKeyMFXKBHNJDMRLCK-UHFFFAOYSA-N
MW103.59 g/mol
LogP-0.27
Rot. Bonds

About CID 160636812

CID 160636812 (PubChem CID 160636812) has the molecular formula H2BNiS and a molecular weight of 103.59 g/mol.

Molecular Properties

Compound NameCID 160636812
PubChem CID160636812
Molecular FormulaH2BNiS
Molecular Weight103.59 g/mol
Exact Mass102.93
IUPAC Name—
SMILESS.[B].[Ni]
InChIInChI=1S/B.Ni.H2S/h;;1H2
InChIKeyMFXKBHNJDMRLCK-UHFFFAOYSA-N
XLogP-0.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.59
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 160636812?
The IUPAC name of CID 160636812 (CID 160636812) is not available.
What is the SMILES notation for CID 160636812?
The canonical SMILES for CID 160636812 is S.[B].[Ni].
What is the InChIKey of CID 160636812?
The InChIKey is MFXKBHNJDMRLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/B.Ni.H2S/h;;1H2.
What are the key properties of CID 160636812?
CID 160636812 has a molecular weight of 103.59 g/mol, XLogP of -0.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160636812 is sourced from PubChem (CID 160636812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).