boric acid;sulfane

H38B12O36S — CID 173015947

IUPACboric acid;sulfane
SMILESOB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.S
InChIInChI=1S/12BH3O3.H2S/c12*2-1(3)4;/h12*2-4H;1H2
InChIKeyJYSMOEYOIOBHBD-UHFFFAOYSA-N
MW776.08 g/mol
LogP-24.51
Rot. Bonds

About boric acid;sulfane

boric acid;sulfane (PubChem CID 173015947) has the molecular formula H38B12O36S and a molecular weight of 776.08 g/mol. Its IUPAC name is boric acid;sulfane.

Molecular Properties

Compound Nameboric acid;sulfane
PubChem CID173015947
Molecular FormulaH38B12O36S
Molecular Weight776.08 g/mol
Exact Mass778.20
IUPAC Nameboric acid;sulfane
SMILESOB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.S
InChIInChI=1S/12BH3O3.H2S/c12*2-1(3)4;/h12*2-4H;1H2
InChIKeyJYSMOEYOIOBHBD-UHFFFAOYSA-N
XLogP-24.51
TPSA728.28 Ų
H-Bond Donors36
H-Bond Acceptors36
Rotatable Bonds
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500776.08
LogP ≤ 5-24.51
H-Bond Donors ≤ 536
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

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Related Compounds

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boric acid;scandium
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boric acid;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of boric acid;sulfane?
The IUPAC name of boric acid;sulfane (CID 173015947) is boric acid;sulfane.
What is the SMILES notation for boric acid;sulfane?
The canonical SMILES for boric acid;sulfane is OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.S.
What is the InChIKey of boric acid;sulfane?
The InChIKey is JYSMOEYOIOBHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/12BH3O3.H2S/c12*2-1(3)4;/h12*2-4H;1H2.
What are the key properties of boric acid;sulfane?
boric acid;sulfane has a molecular weight of 776.08 g/mol, XLogP of -24.51, 0 rotatable bonds, 36 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;sulfane is sourced from PubChem (CID 173015947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).