strontium bis(3-iodobenzenesulfonate)

C12H8I2O6S2Sr — CID 139842237

IUPACstrontium bis(3-iodobenzenesulfonate)
SMILESO=S(=O)([O-])c1cccc(I)c1.O=S(=O)([O-])c1cccc(I)c1.[Sr+2]
InChIInChI=1S/2C6H5IO3S.Sr/c2*7-5-2-1-3-6(4-5)11(8,9)10;/h2*1-4H,(H,8,9,10);/q;;+2/p-2
InChIKeyUOOAWCNAASUPKH-UHFFFAOYSA-L
MW653.75 g/mol
LogP2.01
Rot. Bonds2

About strontium bis(3-iodobenzenesulfonate)

strontium bis(3-iodobenzenesulfonate) (PubChem CID 139842237) has the molecular formula C12H8I2O6S2Sr and a molecular weight of 653.75 g/mol. Its IUPAC name is strontium bis(3-iodobenzenesulfonate).

Molecular Properties

Compound Namestrontium bis(3-iodobenzenesulfonate)
PubChem CID139842237
Molecular FormulaC12H8I2O6S2Sr
Molecular Weight653.75 g/mol
Exact Mass653.69
IUPAC Namestrontium bis(3-iodobenzenesulfonate)
SMILESO=S(=O)([O-])c1cccc(I)c1.O=S(=O)([O-])c1cccc(I)c1.[Sr+2]
InChIInChI=1S/2C6H5IO3S.Sr/c2*7-5-2-1-3-6(4-5)11(8,9)10;/h2*1-4H,(H,8,9,10);/q;;+2/p-2
InChIKeyUOOAWCNAASUPKH-UHFFFAOYSA-L
XLogP2.01
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500653.75
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze strontium bis(3-iodobenzenesulfonate) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

silver 3-iodobenzenesulfonate
CID 139842142
aluminum tris(3-iodobenzenesulfonate)
CID 22604124
3-iodobenzenesulfonamide
CID 11219806
3-iodobenzenesulfonohydrazide
CID 171366770
lithium 3-bromobenzenesulfonate
CID 139842272
bis(3-chlorobenzenesulfonate);mercury(2+)
CID 22604170
potassium 3-aminobenzenesulfonate
CID 23716245
sodium 3-methylbenzenesulfonate
CID 23684709
indium(3+);tris(4-iodobenzenesulfonate)
CID 22604169
triazanium;3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate
CID 159895598
3-tert-butylbenzenesulfonate
CID 22438691
1-benzylsulfonyl-3-iodobenzene
CID 145226686

Frequently Asked Questions

What is the IUPAC name of strontium bis(3-iodobenzenesulfonate)?
The IUPAC name of strontium bis(3-iodobenzenesulfonate) (CID 139842237) is strontium bis(3-iodobenzenesulfonate).
What is the SMILES notation for strontium bis(3-iodobenzenesulfonate)?
The canonical SMILES for strontium bis(3-iodobenzenesulfonate) is O=S(=O)([O-])c1cccc(I)c1.O=S(=O)([O-])c1cccc(I)c1.[Sr+2].
What is the InChIKey of strontium bis(3-iodobenzenesulfonate)?
The InChIKey is UOOAWCNAASUPKH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H5IO3S.Sr/c2*7-5-2-1-3-6(4-5)11(8,9)10;/h2*1-4H,(H,8,9,10);/q;;+2/p-2.
What are the key properties of strontium bis(3-iodobenzenesulfonate)?
strontium bis(3-iodobenzenesulfonate) has a molecular weight of 653.75 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for strontium bis(3-iodobenzenesulfonate) is sourced from PubChem (CID 139842237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).