[ethyl(sulfanylidene)-λ6-sulfanylidyne]borane

C2H5BS2 — CID 89345371

IUPAC[ethyl(sulfanylidene)-λ6-sulfanylidyne]borane
SMILESB#S(=S)CC
InChIInChI=1S/C2H5BS2/c1-2-5(3)4/h2H2,1H3
InChIKeyLUBLZKZHVKSKEL-UHFFFAOYSA-N
MW104.01 g/mol
LogP0.17
Rot. Bonds

About [ethyl(sulfanylidene)-λ6-sulfanylidyne]borane

[ethyl(sulfanylidene)-λ6-sulfanylidyne]borane (PubChem CID 89345371) has the molecular formula C2H5BS2 and a molecular weight of 104.01 g/mol. Its IUPAC name is [ethyl(sulfanylidene)-λ6-sulfanylidyne]borane.

Molecular Properties

Compound Name[ethyl(sulfanylidene)-λ6-sulfanylidyne]borane
PubChem CID89345371
Molecular FormulaC2H5BS2
Molecular Weight104.01 g/mol
Exact Mass103.99
IUPAC Name[ethyl(sulfanylidene)-λ6-sulfanylidyne]borane
SMILESB#S(=S)CC
InChIInChI=1S/C2H5BS2/c1-2-5(3)4/h2H2,1H3
InChIKeyLUBLZKZHVKSKEL-UHFFFAOYSA-N
XLogP0.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.01
LogP ≤ 50.17
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 [ethyl(sulfanylidene)-λ6-sulfanylidyne]borane?
The IUPAC name of [ethyl(sulfanylidene)-λ6-sulfanylidyne]borane (CID 89345371) is [ethyl(sulfanylidene)-λ6-sulfanylidyne]borane.
What is the SMILES notation for [ethyl(sulfanylidene)-λ6-sulfanylidyne]borane?
The canonical SMILES for [ethyl(sulfanylidene)-λ6-sulfanylidyne]borane is B#S(=S)CC.
What is the InChIKey of [ethyl(sulfanylidene)-λ6-sulfanylidyne]borane?
The InChIKey is LUBLZKZHVKSKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5BS2/c1-2-5(3)4/h2H2,1H3.
What are the key properties of [ethyl(sulfanylidene)-λ6-sulfanylidyne]borane?
[ethyl(sulfanylidene)-λ6-sulfanylidyne]borane has a molecular weight of 104.01 g/mol, XLogP of 0.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl(sulfanylidene)-λ6-sulfanylidyne]borane is sourced from PubChem (CID 89345371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).