strontium;hydride;2,4,5-trichlorobenzenesulfonic acid

C6H5Cl3O3SSr — CID 173480175

IUPACstrontium;hydride;2,4,5-trichlorobenzenesulfonic acid
SMILESO=S(=O)(O)c1cc(Cl)c(Cl)cc1Cl.[H-].[H-].[Sr+2]
InChIInChI=1S/C6H3Cl3O3S.Sr.2H/c7-3-1-5(9)6(2-4(3)8)13(10,11)12;;;/h1-2H,(H,10,11,12);;;/q;+2;2*-1
InChIKeyOVMOXPBJJIXODQ-UHFFFAOYSA-N
MW351.15 g/mol
LogP2.74
Rot. Bonds1

About strontium;hydride;2,4,5-trichlorobenzenesulfonic acid

strontium;hydride;2,4,5-trichlorobenzenesulfonic acid (PubChem CID 173480175) has the molecular formula C6H5Cl3O3SSr and a molecular weight of 351.15 g/mol. Its IUPAC name is strontium;hydride;2,4,5-trichlorobenzenesulfonic acid.

Molecular Properties

Compound Namestrontium;hydride;2,4,5-trichlorobenzenesulfonic acid
PubChem CID173480175
Molecular FormulaC6H5Cl3O3SSr
Molecular Weight351.15 g/mol
Exact Mass349.81
IUPAC Namestrontium;hydride;2,4,5-trichlorobenzenesulfonic acid
SMILESO=S(=O)(O)c1cc(Cl)c(Cl)cc1Cl.[H-].[H-].[Sr+2]
InChIInChI=1S/C6H3Cl3O3S.Sr.2H/c7-3-1-5(9)6(2-4(3)8)13(10,11)12;;;/h1-2H,(H,10,11,12);;;/q;+2;2*-1
InChIKeyOVMOXPBJJIXODQ-UHFFFAOYSA-N
XLogP2.74
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.15
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-4-fluorobenzenesulfonic acid
CID 86635160
4-bromo-2,5-dichlorobenzenesulfonic acid
CID 169337234
barium(2+);2,5-dichlorobenzenesulfonic acid;hydride
CID 173437131
sodium;2,4-dichlorobenzenesulfonic acid;hydride
CID 173175851
4-chloro-6-formylbenzene-1,3-disulfonic acid
CID 163702283
sodium 2,4,5-trichlorobenzenesulfonate
CID 23673597
CID 87064436
CID 87064436
CID 172759722
CID 172759722
sodium 2-amino-5-chloro-4-sulfophenolate
CID 101305426
2-amino-6-chloro-2,3-dihydro-1H-indene-5-sulfonic acid
CID 87318236
1,4,6,9-tetrachlorothianthrene-2,8-disulfonic acid
CID 19906756
potassium;2-chlorobenzenesulfonic acid;hydride
CID 173108093

Frequently Asked Questions

What is the IUPAC name of strontium;hydride;2,4,5-trichlorobenzenesulfonic acid?
The IUPAC name of strontium;hydride;2,4,5-trichlorobenzenesulfonic acid (CID 173480175) is strontium;hydride;2,4,5-trichlorobenzenesulfonic acid.
What is the SMILES notation for strontium;hydride;2,4,5-trichlorobenzenesulfonic acid?
The canonical SMILES for strontium;hydride;2,4,5-trichlorobenzenesulfonic acid is O=S(=O)(O)c1cc(Cl)c(Cl)cc1Cl.[H-].[H-].[Sr+2].
What is the InChIKey of strontium;hydride;2,4,5-trichlorobenzenesulfonic acid?
The InChIKey is OVMOXPBJJIXODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl3O3S.Sr.2H/c7-3-1-5(9)6(2-4(3)8)13(10,11)12;;;/h1-2H,(H,10,11,12);;;/q;+2;2*-1.
What are the key properties of strontium;hydride;2,4,5-trichlorobenzenesulfonic acid?
strontium;hydride;2,4,5-trichlorobenzenesulfonic acid has a molecular weight of 351.15 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for strontium;hydride;2,4,5-trichlorobenzenesulfonic acid is sourced from PubChem (CID 173480175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).