CID 147978669

C4H3B2N2S — CID 147978669

IUPAC—
SMILES[B]C(=[B])c1cc(N)sn1
InChIInChI=1S/C4H3B2N2S/c5-4(6)2-1-3(7)9-8-2/h1H,7H2
InChIKeyUIYJVHWSNNMKQJ-UHFFFAOYSA-N
MW132.77 g/mol
LogP-0.46
Rot. Bonds1

About CID 147978669

CID 147978669 (PubChem CID 147978669) has the molecular formula C4H3B2N2S and a molecular weight of 132.77 g/mol.

Molecular Properties

Compound NameCID 147978669
PubChem CID147978669
Molecular FormulaC4H3B2N2S
Molecular Weight132.77 g/mol
Exact Mass133.02
IUPAC Name—
SMILES[B]C(=[B])c1cc(N)sn1
InChIInChI=1S/C4H3B2N2S/c5-4(6)2-1-3(7)9-8-2/h1H,7H2
InChIKeyUIYJVHWSNNMKQJ-UHFFFAOYSA-N
XLogP-0.46
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.77
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 147978669 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 147978669?
The IUPAC name of CID 147978669 (CID 147978669) is not available.
What is the SMILES notation for CID 147978669?
The canonical SMILES for CID 147978669 is [B]C(=[B])c1cc(N)sn1.
What is the InChIKey of CID 147978669?
The InChIKey is UIYJVHWSNNMKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3B2N2S/c5-4(6)2-1-3(7)9-8-2/h1H,7H2.
What are the key properties of CID 147978669?
CID 147978669 has a molecular weight of 132.77 g/mol, XLogP of -0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 147978669 is sourced from PubChem (CID 147978669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).