trisulfanium;borate

H9BO3S3 — CID 22561123

IUPACtrisulfanium;borate
SMILES[O-]B([O-])[O-].[SH3+].[SH3+].[SH3+]
InChIInChI=1S/BO3.3H2S/c2-1(3)4;;;/h;3*1H2/q-3;;;/p+3
InChIKeyGXKGVCRNWCFHSA-UHFFFAOYSA-Q
MW164.08 g/mol
LogP-6.36
Rot. Bonds

About trisulfanium;borate

trisulfanium;borate (PubChem CID 22561123) has the molecular formula H9BO3S3 and a molecular weight of 164.08 g/mol. Its IUPAC name is trisulfanium;borate.

Molecular Properties

Compound Nametrisulfanium;borate
PubChem CID22561123
Molecular FormulaH9BO3S3
Molecular Weight164.08 g/mol
Exact Mass163.98
IUPAC Nametrisulfanium;borate
SMILES[O-]B([O-])[O-].[SH3+].[SH3+].[SH3+]
InChIInChI=1S/BO3.3H2S/c2-1(3)4;;;/h;3*1H2/q-3;;;/p+3
InChIKeyGXKGVCRNWCFHSA-UHFFFAOYSA-Q
XLogP-6.36
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.08
LogP ≤ 5-6.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tetraborate;pentahydrate
CID 18463322
dibismuth diborate
CID 159089298
dialuminum diborate
CID 22359065
tetrakis(ytterbium(3+));tetraborate
CID 158376786
hexamagnesium;tetraborate
CID 19981642
gadolinium(3+);zinc;borate
CID 173199381
aluminum;samarium(3+);diborate
CID 161016046
pentaazanium;pentaborate;octahydrate
CID 57347063
calcium;lithium;borate
CID 139040925
sodium;tin(2+);borate
CID 174594424
lithium;nickel(2+);borate
CID 174688096
CID 21430838
CID 21430838

Frequently Asked Questions

What is the IUPAC name of trisulfanium;borate?
The IUPAC name of trisulfanium;borate (CID 22561123) is trisulfanium;borate.
What is the SMILES notation for trisulfanium;borate?
The canonical SMILES for trisulfanium;borate is [O-]B([O-])[O-].[SH3+].[SH3+].[SH3+].
What is the InChIKey of trisulfanium;borate?
The InChIKey is GXKGVCRNWCFHSA-UHFFFAOYSA-Q. The full InChI is InChI=1S/BO3.3H2S/c2-1(3)4;;;/h;3*1H2/q-3;;;/p+3.
What are the key properties of trisulfanium;borate?
trisulfanium;borate has a molecular weight of 164.08 g/mol, XLogP of -6.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trisulfanium;borate is sourced from PubChem (CID 22561123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).