cyclohexa-3,5-diene-1,2-disulfonic acid

C6H8O6S2 — CID 87555090

IUPACcyclohexa-3,5-diene-1,2-disulfonic acid
SMILESO=S(=O)(O)C1C=CC=CC1S(=O)(=O)O
InChIInChI=1S/C6H8O6S2/c7-13(8,9)5-3-1-2-4-6(5)14(10,11)12/h1-6H,(H,7,8,9)(H,10,11,12)
InChIKeyIDFZXEFTTPPULO-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.37
Rot. Bonds2

About cyclohexa-3,5-diene-1,2-disulfonic acid

cyclohexa-3,5-diene-1,2-disulfonic acid (PubChem CID 87555090) has the molecular formula C6H8O6S2 and a molecular weight of 240.26 g/mol. Its IUPAC name is cyclohexa-3,5-diene-1,2-disulfonic acid.

Molecular Properties

Compound Namecyclohexa-3,5-diene-1,2-disulfonic acid
PubChem CID87555090
Molecular FormulaC6H8O6S2
Molecular Weight240.26 g/mol
Exact Mass239.98
IUPAC Namecyclohexa-3,5-diene-1,2-disulfonic acid
SMILESO=S(=O)(O)C1C=CC=CC1S(=O)(=O)O
InChIInChI=1S/C6H8O6S2/c7-13(8,9)5-3-1-2-4-6(5)14(10,11)12/h1-6H,(H,7,8,9)(H,10,11,12)
InChIKeyIDFZXEFTTPPULO-UHFFFAOYSA-N
XLogP-0.37
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.37
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

6-oxocyclohexa-2,4-diene-1-sulfonic acid;trihydrate
CID 141191996
5,5,6-trimethylcyclohex-3-ene-1,2-disulfonic acid
CID 174483302
benzene;tris(sulfurofluoridic acid)
CID 173082368
(1R,6S)-1,6-dimethylcyclohexa-2,4-diene-1-sulfonic acid
CID 124527543
CID 159180001
CID 159180001
CID 159720912
CID 159720912
lanthanum;sulfurofluoridic acid
CID 173300480
CID 172830707
CID 172830707
benzene;sulfuric acid
CID 19962519
dipotassium;hydride;sulfuric acid;hydroxide
CID 174734918
benzene;sulfuric acid
CID 160829970
sodium;sulfuric acid;hydroxide;hydrochloride
CID 159136854

Frequently Asked Questions

What is the IUPAC name of cyclohexa-3,5-diene-1,2-disulfonic acid?
The IUPAC name of cyclohexa-3,5-diene-1,2-disulfonic acid (CID 87555090) is cyclohexa-3,5-diene-1,2-disulfonic acid.
What is the SMILES notation for cyclohexa-3,5-diene-1,2-disulfonic acid?
The canonical SMILES for cyclohexa-3,5-diene-1,2-disulfonic acid is O=S(=O)(O)C1C=CC=CC1S(=O)(=O)O.
What is the InChIKey of cyclohexa-3,5-diene-1,2-disulfonic acid?
The InChIKey is IDFZXEFTTPPULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O6S2/c7-13(8,9)5-3-1-2-4-6(5)14(10,11)12/h1-6H,(H,7,8,9)(H,10,11,12).
What are the key properties of cyclohexa-3,5-diene-1,2-disulfonic acid?
cyclohexa-3,5-diene-1,2-disulfonic acid has a molecular weight of 240.26 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-3,5-diene-1,2-disulfonic acid is sourced from PubChem (CID 87555090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).