tetracene-2-sulfonic acid

C18H12O3S — CID 21483873

IUPACtetracene-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc2cc3cc4ccccc4cc3cc2c1
InChIInChI=1S/C18H12O3S/c19-22(20,21)18-6-5-14-9-15-7-12-3-1-2-4-13(12)8-16(15)10-17(14)11-18/h1-11H,(H,19,20,21)
InChIKeyLEIDIURVDCLXIQ-UHFFFAOYSA-N
MW308.36 g/mol
LogP4.39
Rot. Bonds1

About tetracene-2-sulfonic acid

tetracene-2-sulfonic acid (PubChem CID 21483873) has the molecular formula C18H12O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is tetracene-2-sulfonic acid.

Molecular Properties

Compound Nametetracene-2-sulfonic acid
PubChem CID21483873
Molecular FormulaC18H12O3S
Molecular Weight308.36 g/mol
Exact Mass308.05
IUPAC Nametetracene-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc2cc3cc4ccccc4cc3cc2c1
InChIInChI=1S/C18H12O3S/c19-22(20,21)18-6-5-14-9-15-7-12-3-1-2-4-13(12)8-16(15)10-17(14)11-18/h1-11H,(H,19,20,21)
InChIKeyLEIDIURVDCLXIQ-UHFFFAOYSA-N
XLogP4.39
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.39
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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Related Compounds

sodium;anthracene-2-sulfonic acid;hydride
CID 173016087
naphthalene-2-sulfonic acid
CID 8420
naphthalene-2-sulfonic acid;zinc
CID 87263273
CID 88530425
CID 88530425
CID 87246277
CID 87246277
Dispersing Agent NNO
CID 156594502
methanesulfonic acid;naphthalene-2-sulfonic acid
CID 87841078
6,7-dihydroxyanthracene-2-sulfonic acid
CID 141399641
anthracene-2,6-disulfonic acid;bis(guanidine)
CID 175713431
naphthalene-2,3,6-trisulfonic acid
CID 42609669
5-aminoanthracene-2-sulfonic acid
CID 154193795
6-hydroxynaphthalene-2-sulfonic acid;nickel
CID 175470147

Frequently Asked Questions

What is the IUPAC name of tetracene-2-sulfonic acid?
The IUPAC name of tetracene-2-sulfonic acid (CID 21483873) is tetracene-2-sulfonic acid.
What is the SMILES notation for tetracene-2-sulfonic acid?
The canonical SMILES for tetracene-2-sulfonic acid is O=S(=O)(O)c1ccc2cc3cc4ccccc4cc3cc2c1.
What is the InChIKey of tetracene-2-sulfonic acid?
The InChIKey is LEIDIURVDCLXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O3S/c19-22(20,21)18-6-5-14-9-15-7-12-3-1-2-4-13(12)8-16(15)10-17(14)11-18/h1-11H,(H,19,20,21).
What are the key properties of tetracene-2-sulfonic acid?
tetracene-2-sulfonic acid has a molecular weight of 308.36 g/mol, XLogP of 4.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetracene-2-sulfonic acid is sourced from PubChem (CID 21483873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).