bismuth;methanesulfonate;tin(4+)

C7H21BiO21S7Sn — CID 159941826

IUPACbismuth;methanesulfonate;tin(4+)
SMILESCS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].[Bi+3].[Sn+4]
InChIInChI=1S/7CH4O3S.Bi.Sn/c7*1-5(2,3)4;;/h7*1H3,(H,2,3,4);;/q;;;;;;;+3;+4/p-7
InChIKeyRUORIDLIKWDPMN-UHFFFAOYSA-G
MW993.38 g/mol
LogP-6.63
Rot. Bonds

About bismuth;methanesulfonate;tin(4+)

bismuth;methanesulfonate;tin(4+) (PubChem CID 159941826) has the molecular formula C7H21BiO21S7Sn and a molecular weight of 993.38 g/mol. Its IUPAC name is bismuth;methanesulfonate;tin(4+).

Molecular Properties

Compound Namebismuth;methanesulfonate;tin(4+)
PubChem CID159941826
Molecular FormulaC7H21BiO21S7Sn
Molecular Weight993.38 g/mol
Exact Mass993.74
IUPAC Namebismuth;methanesulfonate;tin(4+)
SMILESCS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].[Bi+3].[Sn+4]
InChIInChI=1S/7CH4O3S.Bi.Sn/c7*1-5(2,3)4;;/h7*1H3,(H,2,3,4);;/q;;;;;;;+3;+4/p-7
InChIKeyRUORIDLIKWDPMN-UHFFFAOYSA-G
XLogP-6.63
TPSA400.40 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500993.38
LogP ≤ 5-6.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bismuth;methanesulfonate;tin(4+)?
The IUPAC name of bismuth;methanesulfonate;tin(4+) (CID 159941826) is bismuth;methanesulfonate;tin(4+).
What is the SMILES notation for bismuth;methanesulfonate;tin(4+)?
The canonical SMILES for bismuth;methanesulfonate;tin(4+) is CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].[Bi+3].[Sn+4].
What is the InChIKey of bismuth;methanesulfonate;tin(4+)?
The InChIKey is RUORIDLIKWDPMN-UHFFFAOYSA-G. The full InChI is InChI=1S/7CH4O3S.Bi.Sn/c7*1-5(2,3)4;;/h7*1H3,(H,2,3,4);;/q;;;;;;;+3;+4/p-7.
What are the key properties of bismuth;methanesulfonate;tin(4+)?
bismuth;methanesulfonate;tin(4+) has a molecular weight of 993.38 g/mol, XLogP of -6.63, 0 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for bismuth;methanesulfonate;tin(4+) is sourced from PubChem (CID 159941826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).