CID 88861030

C5H5BS — CID 88861030

IUPAC—
SMILES[B]c1csc(C)c1
InChIInChI=1S/C5H5BS/c1-4-2-5(6)3-7-4/h2-3H,1H3
InChIKeyOBXSTNXMHZUFDF-UHFFFAOYSA-N
MW107.97 g/mol
LogP0.85
Rot. Bonds

About CID 88861030

CID 88861030 (PubChem CID 88861030) has the molecular formula C5H5BS and a molecular weight of 107.97 g/mol.

Molecular Properties

Compound NameCID 88861030
PubChem CID88861030
Molecular FormulaC5H5BS
Molecular Weight107.97 g/mol
Exact Mass108.02
IUPAC Name—
SMILES[B]c1csc(C)c1
InChIInChI=1S/C5H5BS/c1-4-2-5(6)3-7-4/h2-3H,1H3
InChIKeyOBXSTNXMHZUFDF-UHFFFAOYSA-N
XLogP0.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.97
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 88861030?
The IUPAC name of CID 88861030 (CID 88861030) is not available.
What is the SMILES notation for CID 88861030?
The canonical SMILES for CID 88861030 is [B]c1csc(C)c1.
What is the InChIKey of CID 88861030?
The InChIKey is OBXSTNXMHZUFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BS/c1-4-2-5(6)3-7-4/h2-3H,1H3.
What are the key properties of CID 88861030?
CID 88861030 has a molecular weight of 107.97 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88861030 is sourced from PubChem (CID 88861030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).