thiophene-2,3-dicarboxylate

C6H2O4S-2 — CID 7349646

IUPACthiophene-2,3-dicarboxylate
SMILESO=C([O-])c1ccsc1C(=O)[O-]
InChIInChI=1S/C6H4O4S/c7-5(8)3-1-2-11-4(3)6(9)10/h1-2H,(H,7,8)(H,9,10)/p-2
InChIKeyHIHKYDVSWLFRAY-UHFFFAOYSA-L
MW170.14 g/mol
LogP-1.52
Rot. Bonds2

About thiophene-2,3-dicarboxylate

thiophene-2,3-dicarboxylate (PubChem CID 7349646) has the molecular formula C6H2O4S-2 and a molecular weight of 170.14 g/mol. Its IUPAC name is thiophene-2,3-dicarboxylate.

Molecular Properties

Compound Namethiophene-2,3-dicarboxylate
PubChem CID7349646
Molecular FormulaC6H2O4S-2
Molecular Weight170.14 g/mol
Exact Mass169.97
IUPAC Namethiophene-2,3-dicarboxylate
SMILESO=C([O-])c1ccsc1C(=O)[O-]
InChIInChI=1S/C6H4O4S/c7-5(8)3-1-2-11-4(3)6(9)10/h1-2H,(H,7,8)(H,9,10)/p-2
InChIKeyHIHKYDVSWLFRAY-UHFFFAOYSA-L
XLogP-1.52
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.14
LogP ≤ 5-1.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzoylthiophene-2-carboxylate
CID 6995645
sodium 3-aminothiophene-2-carboxylate
CID 23674963
2-formylthiophene-3-carboxylate
CID 40659665
2-methylsulfanylthiophene-3-carboxylate
CID 7021894
2-phenylthiophene-3-carboxylate
CID 6949770
potassium 3-methoxythiophene-2-carboxylate
CID 172727491
1-(2-acetylthiophen-3-yl)ethanone
CID 69091147
3-acetylthiophene-2-carboxylic acid
CID 818927
3-[(1-hydroxy-2-methylpropan-2-yl)azaniumyl]thiophene-2-carboxylate
CID 28753765
3-[(4-methylbenzoyl)amino]thiophene-2-carboxylate
CID 6987136
disilver;phthalate
CID 21449237
pentakis(lead(2+));phthalate
CID 173427098

Frequently Asked Questions

What is the IUPAC name of thiophene-2,3-dicarboxylate?
The IUPAC name of thiophene-2,3-dicarboxylate (CID 7349646) is thiophene-2,3-dicarboxylate.
What is the SMILES notation for thiophene-2,3-dicarboxylate?
The canonical SMILES for thiophene-2,3-dicarboxylate is O=C([O-])c1ccsc1C(=O)[O-].
What is the InChIKey of thiophene-2,3-dicarboxylate?
The InChIKey is HIHKYDVSWLFRAY-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H4O4S/c7-5(8)3-1-2-11-4(3)6(9)10/h1-2H,(H,7,8)(H,9,10)/p-2.
What are the key properties of thiophene-2,3-dicarboxylate?
thiophene-2,3-dicarboxylate has a molecular weight of 170.14 g/mol, XLogP of -1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for thiophene-2,3-dicarboxylate is sourced from PubChem (CID 7349646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).