CID 88530425

C10H8AlO3S — CID 88530425

IUPAC—
SMILESO=S(=O)(O)c1ccc2ccccc2c1.[Al]
InChIInChI=1S/C10H8O3S.Al/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H,(H,11,12,13);
InChIKeySPRQIMNMHAEUHA-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.71
Rot. Bonds1

About CID 88530425

CID 88530425 (PubChem CID 88530425) has the molecular formula C10H8AlO3S and a molecular weight of 235.22 g/mol.

Molecular Properties

Compound NameCID 88530425
PubChem CID88530425
Molecular FormulaC10H8AlO3S
Molecular Weight235.22 g/mol
Exact Mass235.00
IUPAC Name—
SMILESO=S(=O)(O)c1ccc2ccccc2c1.[Al]
InChIInChI=1S/C10H8O3S.Al/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H,(H,11,12,13);
InChIKeySPRQIMNMHAEUHA-UHFFFAOYSA-N
XLogP1.71
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Dispersing Agent NNO
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methanesulfonic acid;naphthalene-2-sulfonic acid
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tetracene-2-sulfonic acid
CID 21483873
sodium;anthracene-2-sulfonic acid;hydride
CID 173016087
naphthalene-2,3,6-trisulfonic acid
CID 42609669
6-hydroxynaphthalene-2-sulfonic acid;nickel
CID 175470147
6-sulfanylnaphthalene-2-sulfonic acid
CID 57069240
6,7-dihydroxyanthracene-2-sulfonic acid
CID 141399641
2-hydroxy-1,2-diphenylethanone;naphthalene-2-sulfonic acid
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Frequently Asked Questions

What is the IUPAC name of CID 88530425?
The IUPAC name of CID 88530425 (CID 88530425) is not available.
What is the SMILES notation for CID 88530425?
The canonical SMILES for CID 88530425 is O=S(=O)(O)c1ccc2ccccc2c1.[Al].
What is the InChIKey of CID 88530425?
The InChIKey is SPRQIMNMHAEUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3S.Al/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H,(H,11,12,13);.
What are the key properties of CID 88530425?
CID 88530425 has a molecular weight of 235.22 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88530425 is sourced from PubChem (CID 88530425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).