boranylidyneborane;methylsulfanylmethane

C2H6B2S — CID 22038413

IUPACboranylidyneborane;methylsulfanylmethane
SMILESB#B.CSC
InChIInChI=1S/C2H6S.B2/c1-3-2;1-2/h1-2H3;
InChIKeyWOOSPQWFYYKWFF-UHFFFAOYSA-N
MW83.76 g/mol
LogP0.22
Rot. Bonds

About boranylidyneborane;methylsulfanylmethane

boranylidyneborane;methylsulfanylmethane (PubChem CID 22038413) has the molecular formula C2H6B2S and a molecular weight of 83.76 g/mol. Its IUPAC name is boranylidyneborane;methylsulfanylmethane.

Molecular Properties

Compound Nameboranylidyneborane;methylsulfanylmethane
PubChem CID22038413
Molecular FormulaC2H6B2S
Molecular Weight83.76 g/mol
Exact Mass84.04
IUPAC Nameboranylidyneborane;methylsulfanylmethane
SMILESB#B.CSC
InChIInChI=1S/C2H6S.B2/c1-3-2;1-2/h1-2H3;
InChIKeyWOOSPQWFYYKWFF-UHFFFAOYSA-N
XLogP0.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.76
LogP ≤ 50.22
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 boranylidyneborane;methylsulfanylmethane?
The IUPAC name of boranylidyneborane;methylsulfanylmethane (CID 22038413) is boranylidyneborane;methylsulfanylmethane.
What is the SMILES notation for boranylidyneborane;methylsulfanylmethane?
The canonical SMILES for boranylidyneborane;methylsulfanylmethane is B#B.CSC.
What is the InChIKey of boranylidyneborane;methylsulfanylmethane?
The InChIKey is WOOSPQWFYYKWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6S.B2/c1-3-2;1-2/h1-2H3;.
What are the key properties of boranylidyneborane;methylsulfanylmethane?
boranylidyneborane;methylsulfanylmethane has a molecular weight of 83.76 g/mol, XLogP of 0.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for boranylidyneborane;methylsulfanylmethane is sourced from PubChem (CID 22038413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).