naphthalene-2,3,6-trisulfonic acid

C10H8O9S3 — CID 42609669

IUPACnaphthalene-2,3,6-trisulfonic acid
SMILESO=S(=O)(O)c1ccc2cc(S(=O)(=O)O)c(S(=O)(=O)O)cc2c1
InChIInChI=1S/C10H8O9S3/c11-20(12,13)8-2-1-6-4-9(21(14,15)16)10(22(17,18)19)5-7(6)3-8/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)
InChIKeyFAMAGPXMXMUBMH-UHFFFAOYSA-N
MW368.37 g/mol
LogP0.58
Rot. Bonds3

About naphthalene-2,3,6-trisulfonic acid

naphthalene-2,3,6-trisulfonic acid (PubChem CID 42609669) has the molecular formula C10H8O9S3 and a molecular weight of 368.37 g/mol. Its IUPAC name is naphthalene-2,3,6-trisulfonic acid.

Molecular Properties

Compound Namenaphthalene-2,3,6-trisulfonic acid
PubChem CID42609669
Molecular FormulaC10H8O9S3
Molecular Weight368.37 g/mol
Exact Mass367.93
IUPAC Namenaphthalene-2,3,6-trisulfonic acid
SMILESO=S(=O)(O)c1ccc2cc(S(=O)(=O)O)c(S(=O)(=O)O)cc2c1
InChIInChI=1S/C10H8O9S3/c11-20(12,13)8-2-1-6-4-9(21(14,15)16)10(22(17,18)19)5-7(6)3-8/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)
InChIKeyFAMAGPXMXMUBMH-UHFFFAOYSA-N
XLogP0.58
TPSA163.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

disodium;hydride;3-hydroxynaphthalene-2,6-disulfonic acid
CID 174552930
tetracene-2-sulfonic acid
CID 21483873
6-methyl-7-(trihydroxy-λ4-sulfanyl)naphthalene-2-sulfonic acid
CID 21363114
6,7-dihydroxyanthracene-2-sulfonic acid
CID 141399641
naphthalene-2-sulfonic acid
CID 8420
anthracene-2,6-disulfonic acid;bis(guanidine)
CID 175713431
sodium;anthracene-2-sulfonic acid;hydride
CID 173016087
naphthalene-2-sulfonic acid;zinc
CID 87263273
CID 87246277
CID 87246277
CID 88530425
CID 88530425
6-sulfanylnaphthalene-2-sulfonic acid
CID 57069240
6-hydroxynaphthalene-2-sulfonic acid;nickel
CID 175470147

Frequently Asked Questions

What is the IUPAC name of naphthalene-2,3,6-trisulfonic acid?
The IUPAC name of naphthalene-2,3,6-trisulfonic acid (CID 42609669) is naphthalene-2,3,6-trisulfonic acid.
What is the SMILES notation for naphthalene-2,3,6-trisulfonic acid?
The canonical SMILES for naphthalene-2,3,6-trisulfonic acid is O=S(=O)(O)c1ccc2cc(S(=O)(=O)O)c(S(=O)(=O)O)cc2c1.
What is the InChIKey of naphthalene-2,3,6-trisulfonic acid?
The InChIKey is FAMAGPXMXMUBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O9S3/c11-20(12,13)8-2-1-6-4-9(21(14,15)16)10(22(17,18)19)5-7(6)3-8/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19).
What are the key properties of naphthalene-2,3,6-trisulfonic acid?
naphthalene-2,3,6-trisulfonic acid has a molecular weight of 368.37 g/mol, XLogP of 0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-2,3,6-trisulfonic acid is sourced from PubChem (CID 42609669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).