4,6-dihydroxynaphthalene-2-sulfonate

C10H7O5S- — CID 19096570

IUPAC4,6-dihydroxynaphthalene-2-sulfonate
SMILESO=S(=O)([O-])c1cc(O)c2cc(O)ccc2c1
InChIInChI=1S/C10H8O5S/c11-7-2-1-6-3-8(16(13,14)15)5-10(12)9(6)4-7/h1-5,11-12H,(H,13,14,15)/p-1
InChIKeyFBYMBFPXCCVIRA-UHFFFAOYSA-M
MW239.23 g/mol
LogP1.16
Rot. Bonds1

About 4,6-dihydroxynaphthalene-2-sulfonate

4,6-dihydroxynaphthalene-2-sulfonate (PubChem CID 19096570) has the molecular formula C10H7O5S- and a molecular weight of 239.23 g/mol. Its IUPAC name is 4,6-dihydroxynaphthalene-2-sulfonate.

Molecular Properties

Compound Name4,6-dihydroxynaphthalene-2-sulfonate
PubChem CID19096570
Molecular FormulaC10H7O5S-
Molecular Weight239.23 g/mol
Exact Mass239.00
IUPAC Name4,6-dihydroxynaphthalene-2-sulfonate
SMILESO=S(=O)([O-])c1cc(O)c2cc(O)ccc2c1
InChIInChI=1S/C10H8O5S/c11-7-2-1-6-3-8(16(13,14)15)5-10(12)9(6)4-7/h1-5,11-12H,(H,13,14,15)/p-1
InChIKeyFBYMBFPXCCVIRA-UHFFFAOYSA-M
XLogP1.16
TPSA97.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

potassium 6-hydroxynaphthalene-2-sulfonate
CID 23677963
sodium 7-hydroxynaphthalene-2-sulfonate
CID 23667647
7-amino-4-hydroxynaphthalene-2-sulfonate
CID 22096616
6-hydroxynaphthalene-2-sulfonic acid;nickel
CID 175470147
disodium;hydride;6-hydroxynaphthalene-2-sulfonic acid
CID 173012755
1,7-dihydroxy-3-(sulfinatoamino)naphthalene
CID 57134913
6-amino-4-hydroxynaphthalene-2-sulfonamide
CID 22766301
3-aminonaphthalene-1,7-diol
CID 105435991
lithium;sodium;bis(4-hydroxybenzenesulfonate)
CID 173430636
7-hydroxynaphthalene-1,3-disulfonyl chloride
CID 86634467
disodium;6-amino-4-hydroxy-3-[(8-hydroxy-6-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonate
CID 165363630
CID 87126465
CID 87126465

Frequently Asked Questions

What is the IUPAC name of 4,6-dihydroxynaphthalene-2-sulfonate?
The IUPAC name of 4,6-dihydroxynaphthalene-2-sulfonate (CID 19096570) is 4,6-dihydroxynaphthalene-2-sulfonate.
What is the SMILES notation for 4,6-dihydroxynaphthalene-2-sulfonate?
The canonical SMILES for 4,6-dihydroxynaphthalene-2-sulfonate is O=S(=O)([O-])c1cc(O)c2cc(O)ccc2c1.
What is the InChIKey of 4,6-dihydroxynaphthalene-2-sulfonate?
The InChIKey is FBYMBFPXCCVIRA-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H8O5S/c11-7-2-1-6-3-8(16(13,14)15)5-10(12)9(6)4-7/h1-5,11-12H,(H,13,14,15)/p-1.
What are the key properties of 4,6-dihydroxynaphthalene-2-sulfonate?
4,6-dihydroxynaphthalene-2-sulfonate has a molecular weight of 239.23 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dihydroxynaphthalene-2-sulfonate is sourced from PubChem (CID 19096570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).