CID 159227399

CHBiNS — CID 159227399

IUPAC—
SMILESN=C=S.[Bi]
InChIInChI=1S/CHNS.Bi/c2-1-3;/h2H;
InChIKeyKSLRPILHVCGXMR-UHFFFAOYSA-N
MW268.07 g/mol
LogP0.29
Rot. Bonds

About CID 159227399

CID 159227399 (PubChem CID 159227399) has the molecular formula CHBiNS and a molecular weight of 268.07 g/mol.

Molecular Properties

Compound NameCID 159227399
PubChem CID159227399
Molecular FormulaCHBiNS
Molecular Weight268.07 g/mol
Exact Mass267.96
IUPAC Name—
SMILESN=C=S.[Bi]
InChIInChI=1S/CHNS.Bi/c2-1-3;/h2H;
InChIKeyKSLRPILHVCGXMR-UHFFFAOYSA-N
XLogP0.29
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.07
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 159227399?
The IUPAC name of CID 159227399 (CID 159227399) is not available.
What is the SMILES notation for CID 159227399?
The canonical SMILES for CID 159227399 is N=C=S.[Bi].
What is the InChIKey of CID 159227399?
The InChIKey is KSLRPILHVCGXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/CHNS.Bi/c2-1-3;/h2H;.
What are the key properties of CID 159227399?
CID 159227399 has a molecular weight of 268.07 g/mol, XLogP of 0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159227399 is sourced from PubChem (CID 159227399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).