anthracene-2-sulfonic acid

C14H10O3S — CID 3014880

IUPACanthracene-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10O3S/c15-18(16,17)14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H,(H,15,16,17)
InChIKeyIPQGOTUZADECCY-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.24
Rot. Bonds1

About anthracene-2-sulfonic acid

anthracene-2-sulfonic acid (PubChem CID 3014880) has the molecular formula C14H10O3S and a molecular weight of 258.30 g/mol. Its IUPAC name is anthracene-2-sulfonic acid.

Molecular Properties

Compound Nameanthracene-2-sulfonic acid
PubChem CID3014880
Molecular FormulaC14H10O3S
Molecular Weight258.30 g/mol
Exact Mass258.04
IUPAC Nameanthracene-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10O3S/c15-18(16,17)14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H,(H,15,16,17)
InChIKeyIPQGOTUZADECCY-UHFFFAOYSA-N
XLogP3.24
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of anthracene-2-sulfonic acid?
The IUPAC name of anthracene-2-sulfonic acid (CID 3014880) is anthracene-2-sulfonic acid.
What is the SMILES notation for anthracene-2-sulfonic acid?
The canonical SMILES for anthracene-2-sulfonic acid is O=S(=O)(O)c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of anthracene-2-sulfonic acid?
The InChIKey is IPQGOTUZADECCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3S/c15-18(16,17)14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H,(H,15,16,17).
What are the key properties of anthracene-2-sulfonic acid?
anthracene-2-sulfonic acid has a molecular weight of 258.30 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-2-sulfonic acid is sourced from PubChem (CID 3014880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).