Borane 1,4-oxathiane complex

C4H8BOS — CID 55252073

IUPAC—
SMILES[B-][O+]1CCSCC1
InChIInChI=1S/C4H8BOS/c5-6-1-3-7-4-2-6/h1-4H2
InChIKeyZBIVZNCAWBSZBJ-UHFFFAOYSA-N
MW114.99 g/mol
LogP0.37
Rot. Bonds

About Borane 1,4-oxathiane complex

Borane 1,4-oxathiane complex (PubChem CID 55252073) has the molecular formula C4H8BOS and a molecular weight of 114.99 g/mol.

Molecular Properties

Compound NameBorane 1,4-oxathiane complex
PubChem CID55252073
Molecular FormulaC4H8BOS
Molecular Weight114.99 g/mol
Exact Mass115.04
IUPAC Name—
SMILES[B-][O+]1CCSCC1
InChIInChI=1S/C4H8BOS/c5-6-1-3-7-4-2-6/h1-4H2
InChIKeyZBIVZNCAWBSZBJ-UHFFFAOYSA-N
XLogP0.37
TPSA2.70 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.99
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Borane 1,4-oxathiane complex?
The IUPAC name of Borane 1,4-oxathiane complex (CID 55252073) is not available.
What is the SMILES notation for Borane 1,4-oxathiane complex?
The canonical SMILES for Borane 1,4-oxathiane complex is [B-][O+]1CCSCC1.
What is the InChIKey of Borane 1,4-oxathiane complex?
The InChIKey is ZBIVZNCAWBSZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8BOS/c5-6-1-3-7-4-2-6/h1-4H2.
What are the key properties of Borane 1,4-oxathiane complex?
Borane 1,4-oxathiane complex has a molecular weight of 114.99 g/mol, XLogP of 0.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Borane 1,4-oxathiane complex is sourced from PubChem (CID 55252073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).