dipotassium;boric acid;bis(dihydrogen borate);sulfane

H12B4K2O12S — CID 174505501

IUPACdipotassium;boric acid;bis(dihydrogen borate);sulfane
SMILESOB(O)O.OB(O)O.S.[K+].[K+].[O-]B(O)O.[O-]B(O)O
InChIInChI=1S/2BH3O3.2BH2O3.2K.H2S/c4*2-1(3)4;;;/h2*2-4H;2*2-3H;;;1H2/q;;2*-1;2*+1;
InChIKeyNHJBSEAVEPQNTE-UHFFFAOYSA-N
MW357.60 g/mol
LogP-15.35
Rot. Bonds

About dipotassium;boric acid;bis(dihydrogen borate);sulfane

dipotassium;boric acid;bis(dihydrogen borate);sulfane (PubChem CID 174505501) has the molecular formula H12B4K2O12S and a molecular weight of 357.60 g/mol. Its IUPAC name is dipotassium;boric acid;bis(dihydrogen borate);sulfane.

Molecular Properties

Compound Namedipotassium;boric acid;bis(dihydrogen borate);sulfane
PubChem CID174505501
Molecular FormulaH12B4K2O12S
Molecular Weight357.60 g/mol
Exact Mass357.97
IUPAC Namedipotassium;boric acid;bis(dihydrogen borate);sulfane
SMILESOB(O)O.OB(O)O.S.[K+].[K+].[O-]B(O)O.[O-]B(O)O
InChIInChI=1S/2BH3O3.2BH2O3.2K.H2S/c4*2-1(3)4;;;/h2*2-4H;2*2-3H;;;1H2/q;;2*-1;2*+1;
InChIKeyNHJBSEAVEPQNTE-UHFFFAOYSA-N
XLogP-15.35
TPSA248.42 Ų
H-Bond Donors10
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500357.60
LogP ≤ 5-15.35
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1012

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 dipotassium;boric acid;bis(dihydrogen borate);sulfane?
The IUPAC name of dipotassium;boric acid;bis(dihydrogen borate);sulfane (CID 174505501) is dipotassium;boric acid;bis(dihydrogen borate);sulfane.
What is the SMILES notation for dipotassium;boric acid;bis(dihydrogen borate);sulfane?
The canonical SMILES for dipotassium;boric acid;bis(dihydrogen borate);sulfane is OB(O)O.OB(O)O.S.[K+].[K+].[O-]B(O)O.[O-]B(O)O.
What is the InChIKey of dipotassium;boric acid;bis(dihydrogen borate);sulfane?
The InChIKey is NHJBSEAVEPQNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/2BH3O3.2BH2O3.2K.H2S/c4*2-1(3)4;;;/h2*2-4H;2*2-3H;;;1H2/q;;2*-1;2*+1;.
What are the key properties of dipotassium;boric acid;bis(dihydrogen borate);sulfane?
dipotassium;boric acid;bis(dihydrogen borate);sulfane has a molecular weight of 357.60 g/mol, XLogP of -15.35, 0 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;boric acid;bis(dihydrogen borate);sulfane is sourced from PubChem (CID 174505501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).