Borane 1,4-thioxane

C4H8BOS — CID 11137144

IUPAC—
SMILESC1CSCCO1.[B]
InChIInChI=1S/C4H8OS.B/c1-3-6-4-2-5-1;/h1-4H2;
InChIKeyCPNLKFUZPSLDMM-UHFFFAOYSA-N
MW114.99 g/mol
LogP0.37
Rot. Bonds

About Borane 1,4-thioxane

Borane 1,4-thioxane (PubChem CID 11137144) has the molecular formula C4H8BOS and a molecular weight of 114.99 g/mol.

Molecular Properties

Compound NameBorane 1,4-thioxane
PubChem CID11137144
Molecular FormulaC4H8BOS
Molecular Weight114.99 g/mol
Exact Mass115.04
IUPAC Name—
SMILESC1CSCCO1.[B]
InChIInChI=1S/C4H8OS.B/c1-3-6-4-2-5-1;/h1-4H2;
InChIKeyCPNLKFUZPSLDMM-UHFFFAOYSA-N
XLogP0.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
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 ≤ 102

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 Borane 1,4-thioxane?
The IUPAC name of Borane 1,4-thioxane (CID 11137144) is not available.
What is the SMILES notation for Borane 1,4-thioxane?
The canonical SMILES for Borane 1,4-thioxane is C1CSCCO1.[B].
What is the InChIKey of Borane 1,4-thioxane?
The InChIKey is CPNLKFUZPSLDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8OS.B/c1-3-6-4-2-5-1;/h1-4H2;.
What are the key properties of Borane 1,4-thioxane?
Borane 1,4-thioxane has a molecular weight of 114.99 g/mol, XLogP of 0.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Borane 1,4-thioxane is sourced from PubChem (CID 11137144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).