biphenylene-1,5-disulfonic acid

C12H8O6S2 — CID 165163925

IUPACbiphenylene-1,5-disulfonic acid
SMILESO=S(=O)(O)c1cccc2c1-c1cccc(S(=O)(=O)O)c1-2
InChIInChI=1S/C12H8O6S2/c13-19(14,15)9-5-1-3-7-11(9)8-4-2-6-10(12(7)8)20(16,17)18/h1-6H,(H,13,14,15)(H,16,17,18)
InChIKeyBQJJTSJLQNFEDI-UHFFFAOYSA-N
MW312.32 g/mol
LogP1.83
Rot. Bonds2

About biphenylene-1,5-disulfonic acid

biphenylene-1,5-disulfonic acid (PubChem CID 165163925) has the molecular formula C12H8O6S2 and a molecular weight of 312.32 g/mol. Its IUPAC name is biphenylene-1,5-disulfonic acid.

Molecular Properties

Compound Namebiphenylene-1,5-disulfonic acid
PubChem CID165163925
Molecular FormulaC12H8O6S2
Molecular Weight312.32 g/mol
Exact Mass311.98
IUPAC Namebiphenylene-1,5-disulfonic acid
SMILESO=S(=O)(O)c1cccc2c1-c1cccc(S(=O)(=O)O)c1-2
InChIInChI=1S/C12H8O6S2/c13-19(14,15)9-5-1-3-7-11(9)8-4-2-6-10(12(7)8)20(16,17)18/h1-6H,(H,13,14,15)(H,16,17,18)
InChIKeyBQJJTSJLQNFEDI-UHFFFAOYSA-N
XLogP1.83
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.83
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

CID 87729944
CID 87729944
lithium;9,10-dioxoanthracene-1-sulfonic acid;hydride
CID 174968408
5-methyl-9,10-dioxoanthracene-1-sulfonic acid
CID 89441677
naphthalene-1,5-disulfonic acid;silver
CID 88762000
1,5-Naphthalene disulfonic acid,sodium salt
CID 87069218
2-ethenyl-1,3-dioxoisoindole-4-sulfonic acid
CID 87729885
disodium;9,10-dioxoanthracene-1,6-disulfonic acid;hydride
CID 173351365
3-chloro-2-phenylbenzenesulfonic acid
CID 54507114
2-(4-phenylphenyl)benzenesulfonic acid
CID 19793885
3-chloro-2-iodobenzenesulfonic acid
CID 151573815
2-[2-(2-chlorophenyl)phenyl]benzenesulfonic acid
CID 87704061
2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4(9),5,7,10(40),11,13,15,17,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-5,23-disulfonic acid
CID 135849754

Frequently Asked Questions

What is the IUPAC name of biphenylene-1,5-disulfonic acid?
The IUPAC name of biphenylene-1,5-disulfonic acid (CID 165163925) is biphenylene-1,5-disulfonic acid.
What is the SMILES notation for biphenylene-1,5-disulfonic acid?
The canonical SMILES for biphenylene-1,5-disulfonic acid is O=S(=O)(O)c1cccc2c1-c1cccc(S(=O)(=O)O)c1-2.
What is the InChIKey of biphenylene-1,5-disulfonic acid?
The InChIKey is BQJJTSJLQNFEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O6S2/c13-19(14,15)9-5-1-3-7-11(9)8-4-2-6-10(12(7)8)20(16,17)18/h1-6H,(H,13,14,15)(H,16,17,18).
What are the key properties of biphenylene-1,5-disulfonic acid?
biphenylene-1,5-disulfonic acid has a molecular weight of 312.32 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for biphenylene-1,5-disulfonic acid is sourced from PubChem (CID 165163925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).