CID 87246277

C10H8LiO3S — CID 87246277

IUPAC—
SMILESO=S(=O)(O)c1ccc2ccccc2c1.[Li]
InChIInChI=1S/C10H8O3S.Li/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H,(H,11,12,13);
InChIKeyHEUUBXBYBWPJGQ-UHFFFAOYSA-N
MW215.18 g/mol
LogP1.71
Rot. Bonds1

About CID 87246277

CID 87246277 (PubChem CID 87246277) has the molecular formula C10H8LiO3S and a molecular weight of 215.18 g/mol.

Molecular Properties

Compound NameCID 87246277
PubChem CID87246277
Molecular FormulaC10H8LiO3S
Molecular Weight215.18 g/mol
Exact Mass215.04
IUPAC Name—
SMILESO=S(=O)(O)c1ccc2ccccc2c1.[Li]
InChIInChI=1S/C10H8O3S.Li/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H,(H,11,12,13);
InChIKeyHEUUBXBYBWPJGQ-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 ≤ 500215.18
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

naphthalene-2-sulfonic acid
CID 8420
methanesulfonic acid;naphthalene-2-sulfonic acid
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naphthalene-2-sulfonic acid;zinc
CID 87263273
CID 88530425
CID 88530425
Dispersing Agent NNO
CID 156594502
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
CID 86743112

Frequently Asked Questions

What is the IUPAC name of CID 87246277?
The IUPAC name of CID 87246277 (CID 87246277) is not available.
What is the SMILES notation for CID 87246277?
The canonical SMILES for CID 87246277 is O=S(=O)(O)c1ccc2ccccc2c1.[Li].
What is the InChIKey of CID 87246277?
The InChIKey is HEUUBXBYBWPJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3S.Li/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 87246277?
CID 87246277 has a molecular weight of 215.18 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 87246277 is sourced from PubChem (CID 87246277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).