dibenzothiophene-2,8-dicarboxylic acid

C14H8O4S — CID 4739374

IUPACdibenzothiophene-2,8-dicarboxylic acid
SMILESO=C(O)c1ccc2sc3ccc(C(=O)O)cc3c2c1
InChIInChI=1S/C14H8O4S/c15-13(16)7-1-3-11-9(5-7)10-6-8(14(17)18)2-4-12(10)19-11/h1-6H,(H,15,16)(H,17,18)
InChIKeyGZLNXGRYYDFZDG-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.45
Rot. Bonds2

About dibenzothiophene-2,8-dicarboxylic acid

dibenzothiophene-2,8-dicarboxylic acid (PubChem CID 4739374) has the molecular formula C14H8O4S and a molecular weight of 272.28 g/mol. Its IUPAC name is dibenzothiophene-2,8-dicarboxylic acid.

Molecular Properties

Compound Namedibenzothiophene-2,8-dicarboxylic acid
PubChem CID4739374
Molecular FormulaC14H8O4S
Molecular Weight272.28 g/mol
Exact Mass272.01
IUPAC Namedibenzothiophene-2,8-dicarboxylic acid
SMILESO=C(O)c1ccc2sc3ccc(C(=O)O)cc3c2c1
InChIInChI=1S/C14H8O4S/c15-13(16)7-1-3-11-9(5-7)10-6-8(14(17)18)2-4-12(10)19-11/h1-6H,(H,15,16)(H,17,18)
InChIKeyGZLNXGRYYDFZDG-UHFFFAOYSA-N
XLogP3.45
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-1-benzothiophene-5-carboxylic acid
CID 130925485
2-fluoro-3-hydroxy-1-benzothiophene-5-carboxylic acid
CID 131000489
3-bromo-2-methyl-1-benzothiophene-5-carboxylic acid;ethane
CID 168954925
[1]benzothiolo[3,2-b][1]benzothiole-2,7-dicarboxylic acid
CID 58150677
3-fluoro-1-benzothiophene-5-carboxylic acid
CID 105449679
3-bromo-1,2-benzothiazole-5-carboxylic acid
CID 83844244
7-methyl-9-oxothioxanthene-3-carboxylic acid chloride
CID 86587294
1-[8-(trifluoromethyl)dibenzothiophen-2-yl]ethanone
CID 122641680
3-methyl-1,2-benzothiazole-5-carboxylic acid
CID 15054423
4-dibenzothiophen-2-yl-4-oxobutanoic acid;3,5-difluorobenzoic acid
CID 157463004
oxophosphane;terephthalic acid
CID 175391404
3-cyclopropyl-1-benzothiophene-5-carboxylic acid
CID 84683832

Frequently Asked Questions

What is the IUPAC name of dibenzothiophene-2,8-dicarboxylic acid?
The IUPAC name of dibenzothiophene-2,8-dicarboxylic acid (CID 4739374) is dibenzothiophene-2,8-dicarboxylic acid.
What is the SMILES notation for dibenzothiophene-2,8-dicarboxylic acid?
The canonical SMILES for dibenzothiophene-2,8-dicarboxylic acid is O=C(O)c1ccc2sc3ccc(C(=O)O)cc3c2c1.
What is the InChIKey of dibenzothiophene-2,8-dicarboxylic acid?
The InChIKey is GZLNXGRYYDFZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O4S/c15-13(16)7-1-3-11-9(5-7)10-6-8(14(17)18)2-4-12(10)19-11/h1-6H,(H,15,16)(H,17,18).
What are the key properties of dibenzothiophene-2,8-dicarboxylic acid?
dibenzothiophene-2,8-dicarboxylic acid has a molecular weight of 272.28 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzothiophene-2,8-dicarboxylic acid is sourced from PubChem (CID 4739374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).