6-sulfanylnaphthalene-2-sulfonic acid

C10H8O3S2 — CID 57069240

IUPAC6-sulfanylnaphthalene-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc2cc(S)ccc2c1
InChIInChI=1S/C10H8O3S2/c11-15(12,13)10-4-2-7-5-9(14)3-1-8(7)6-10/h1-6,14H,(H,11,12,13)
InChIKeyBXCDADUHYUPGPY-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.38
Rot. Bonds1

About 6-sulfanylnaphthalene-2-sulfonic acid

6-sulfanylnaphthalene-2-sulfonic acid (PubChem CID 57069240) has the molecular formula C10H8O3S2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 6-sulfanylnaphthalene-2-sulfonic acid.

Molecular Properties

Compound Name6-sulfanylnaphthalene-2-sulfonic acid
PubChem CID57069240
Molecular FormulaC10H8O3S2
Molecular Weight240.31 g/mol
Exact Mass239.99
IUPAC Name6-sulfanylnaphthalene-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc2cc(S)ccc2c1
InChIInChI=1S/C10H8O3S2/c11-15(12,13)10-4-2-7-5-9(14)3-1-8(7)6-10/h1-6,14H,(H,11,12,13)
InChIKeyBXCDADUHYUPGPY-UHFFFAOYSA-N
XLogP2.38
TPSA54.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

naphthalene-2-sulfonic acid
CID 8420
tetracene-2-sulfonic acid
CID 21483873
naphthalene-2-sulfonic acid;zinc
CID 87263273
naphthalene-2,3,6-trisulfonic acid
CID 42609669
CID 87246277
CID 87246277
CID 88530425
CID 88530425
6-hydroxynaphthalene-2-sulfonic acid;nickel
CID 175470147
6,7-dihydroxyanthracene-2-sulfonic acid
CID 141399641
Dispersing Agent NNO
CID 156594502
anthracene-2,6-disulfonic acid;bis(guanidine)
CID 175713431
methanesulfonic acid;naphthalene-2-sulfonic acid
CID 87841078
sodium;anthracene-2-sulfonic acid;hydride
CID 173016087

Frequently Asked Questions

What is the IUPAC name of 6-sulfanylnaphthalene-2-sulfonic acid?
The IUPAC name of 6-sulfanylnaphthalene-2-sulfonic acid (CID 57069240) is 6-sulfanylnaphthalene-2-sulfonic acid.
What is the SMILES notation for 6-sulfanylnaphthalene-2-sulfonic acid?
The canonical SMILES for 6-sulfanylnaphthalene-2-sulfonic acid is O=S(=O)(O)c1ccc2cc(S)ccc2c1.
What is the InChIKey of 6-sulfanylnaphthalene-2-sulfonic acid?
The InChIKey is BXCDADUHYUPGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3S2/c11-15(12,13)10-4-2-7-5-9(14)3-1-8(7)6-10/h1-6,14H,(H,11,12,13).
What are the key properties of 6-sulfanylnaphthalene-2-sulfonic acid?
6-sulfanylnaphthalene-2-sulfonic acid has a molecular weight of 240.31 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-sulfanylnaphthalene-2-sulfonic acid is sourced from PubChem (CID 57069240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).