benzenesulfonic acid;silane

C48H52O24S8Si — CID 175365915

IUPACbenzenesulfonic acid;silane
SMILESO=S(=O)(O)c1ccccc1.O=S(=O)(O)c1ccccc1.O=S(=O)(O)c1ccccc1.O=S(=O)(O)c1ccccc1.O=S(=O)(O)c1ccccc1.O=S(=O)(O)c1ccccc1.O=S(=O)(O)c1ccccc1.O=S(=O)(O)c1ccccc1.[SiH4]
InChIInChI=1S/8C6H6O3S.H4Si/c8*7-10(8,9)6-4-2-1-3-5-6;/h8*1-5H,(H,7,8,9);1H4
InChIKeyMKEFXGFCKJJKPC-UHFFFAOYSA-N
MW1297.54 g/mol
LogP6.01
Rot. Bonds8

About benzenesulfonic acid;silane

benzenesulfonic acid;silane (PubChem CID 175365915) has the molecular formula C48H52O24S8Si and a molecular weight of 1297.54 g/mol. Its IUPAC name is benzenesulfonic acid;silane.

Molecular Properties

Compound Namebenzenesulfonic acid;silane
PubChem CID175365915
Molecular FormulaC48H52O24S8Si
Molecular Weight1297.54 g/mol
Exact Mass1296.04
IUPAC Namebenzenesulfonic acid;silane
SMILESO=S(=O)(O)c1ccccc1.O=S(=O)(O)c1ccccc1.O=S(=O)(O)c1ccccc1.O=S(=O)(O)c1ccccc1.O=S(=O)(O)c1ccccc1.O=S(=O)(O)c1ccccc1.O=S(=O)(O)c1ccccc1.O=S(=O)(O)c1ccccc1.[SiH4]
InChIInChI=1S/8C6H6O3S.H4Si/c8*7-10(8,9)6-4-2-1-3-5-6;/h8*1-5H,(H,7,8,9);1H4
InChIKeyMKEFXGFCKJJKPC-UHFFFAOYSA-N
XLogP6.01
TPSA434.96 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms81
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001297.54
LogP ≤ 56.01
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Related Compounds

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CID 173198982
benzenesulfonic acid;mercury(1+);hydrate
CID 21150893
disodium;benzenesulfonic acid;sulfate
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CID 18989090
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Frequently Asked Questions

What is the IUPAC name of benzenesulfonic acid;silane?
The IUPAC name of benzenesulfonic acid;silane (CID 175365915) is benzenesulfonic acid;silane.
What is the SMILES notation for benzenesulfonic acid;silane?
The canonical SMILES for benzenesulfonic acid;silane is O=S(=O)(O)c1ccccc1.O=S(=O)(O)c1ccccc1.O=S(=O)(O)c1ccccc1.O=S(=O)(O)c1ccccc1.O=S(=O)(O)c1ccccc1.O=S(=O)(O)c1ccccc1.O=S(=O)(O)c1ccccc1.O=S(=O)(O)c1ccccc1.[SiH4].
What is the InChIKey of benzenesulfonic acid;silane?
The InChIKey is MKEFXGFCKJJKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/8C6H6O3S.H4Si/c8*7-10(8,9)6-4-2-1-3-5-6;/h8*1-5H,(H,7,8,9);1H4.
What are the key properties of benzenesulfonic acid;silane?
benzenesulfonic acid;silane has a molecular weight of 1297.54 g/mol, XLogP of 6.01, 8 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonic acid;silane is sourced from PubChem (CID 175365915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).