naphthalene-1,5-disulfonic acid

C10H8O6S2 — CID 6666

IUPACnaphthalene-1,5-disulfonic acid
SMILESO=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12
InChIInChI=1S/C10H8O6S2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h1-6H,(H,11,12,13)(H,14,15,16)
InChIKeyXTEGVFVZDVNBPF-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.33
Rot. Bonds2

About naphthalene-1,5-disulfonic acid

naphthalene-1,5-disulfonic acid (PubChem CID 6666) has the molecular formula C10H8O6S2 and a molecular weight of 288.30 g/mol. Its IUPAC name is naphthalene-1,5-disulfonic acid.

Molecular Properties

Compound Namenaphthalene-1,5-disulfonic acid
PubChem CID6666
Molecular FormulaC10H8O6S2
Molecular Weight288.30 g/mol
Exact Mass287.98
IUPAC Namenaphthalene-1,5-disulfonic acid
SMILESO=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12
InChIInChI=1S/C10H8O6S2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h1-6H,(H,11,12,13)(H,14,15,16)
InChIKeyXTEGVFVZDVNBPF-UHFFFAOYSA-N
XLogP1.33
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Naphthalenesulfonic acid
CID 8420
Sodium 2-naphthalenesulfonate
CID 23661868
Sodium 1-naphthalenesulfonate
CID 23661867
(1,1'-Biphenyl)-4,4'-disulfonic acid
CID 79202
1-Naphthalenesulfonic acid
CID 6812
Naphthalenesulfonamide
CID 163571
Naphthalene-2-sulfonamide
CID 232997
1,3,6-Naphthalenetrisulfonic acid, sodium salt (1:3)
CID 78855
1,3,6-Naphthalenetrisulfonic acid
CID 4438
Disodium 1,5-naphthalenedisulfonate
CID 74248
2,6-Naphthalenedisulfonic acid
CID 11390
Naphthalenesulfonic acid, dibutyl-, sodium salt (1:1)
CID 23662405

Frequently Asked Questions

What is the IUPAC name of naphthalene-1,5-disulfonic acid?
The IUPAC name of naphthalene-1,5-disulfonic acid (CID 6666) is naphthalene-1,5-disulfonic acid.
What is the SMILES notation for naphthalene-1,5-disulfonic acid?
The canonical SMILES for naphthalene-1,5-disulfonic acid is O=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12.
What is the InChIKey of naphthalene-1,5-disulfonic acid?
The InChIKey is XTEGVFVZDVNBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O6S2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h1-6H,(H,11,12,13)(H,14,15,16).
What are the key properties of naphthalene-1,5-disulfonic acid?
naphthalene-1,5-disulfonic acid has a molecular weight of 288.30 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-1,5-disulfonic acid is sourced from PubChem (CID 6666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).