5-[5-(4-carboxycyclopenta-1,3-dien-1-yl)thiophen-2-yl]thiophene-2-carboxylic acid

C15H10O4S2 — CID 123326405

IUPAC5-[5-(4-carboxycyclopenta-1,3-dien-1-yl)thiophen-2-yl]thiophene-2-carboxylic acid
SMILESO=C(O)C1=CC=C(c2ccc(-c3ccc(C(=O)O)s3)s2)C1
InChIInChI=1S/C15H10O4S2/c16-14(17)9-2-1-8(7-9)10-3-4-11(20-10)12-5-6-13(21-12)15(18)19/h1-6H,7H2,(H,16,17)(H,18,19)
InChIKeyCKLHKIFNFBULRL-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.97
Rot. Bonds4

About 5-[5-(4-carboxycyclopenta-1,3-dien-1-yl)thiophen-2-yl]thiophene-2-carboxylic acid

5-[5-(4-carboxycyclopenta-1,3-dien-1-yl)thiophen-2-yl]thiophene-2-carboxylic acid (PubChem CID 123326405) has the molecular formula C15H10O4S2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-[5-(4-carboxycyclopenta-1,3-dien-1-yl)thiophen-2-yl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[5-(4-carboxycyclopenta-1,3-dien-1-yl)thiophen-2-yl]thiophene-2-carboxylic acid
PubChem CID123326405
Molecular FormulaC15H10O4S2
Molecular Weight318.38 g/mol
Exact Mass318.00
IUPAC Name5-[5-(4-carboxycyclopenta-1,3-dien-1-yl)thiophen-2-yl]thiophene-2-carboxylic acid
SMILESO=C(O)C1=CC=C(c2ccc(-c3ccc(C(=O)O)s3)s2)C1
InChIInChI=1S/C15H10O4S2/c16-14(17)9-2-1-8(7-9)10-3-4-11(20-10)12-5-6-13(21-12)15(18)19/h1-6H,7H2,(H,16,17)(H,18,19)
InChIKeyCKLHKIFNFBULRL-UHFFFAOYSA-N
XLogP3.97
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylic acid
CID 135215247
thiophene-2,5-dicarboxylic acid;dihydrochloride
CID 68502106
5-(4-phenylphenyl)thiophene-2-carboxylic acid
CID 7130760
5-(3-methyl-1,2-thiazol-5-yl)thiophene-2-carboxylic acid
CID 131191331
5-[5-(2,3-diethyl-4-formylphenyl)thiophen-2-yl]thiophene-2-carboxylic acid
CID 141257831
5-[5-[5-[5-[5-(5-carboxythiophen-2-yl)thiophen-2-yl]-4-decylthiophen-2-yl]-3-decylthiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylic acid
CID 100913776
5-[4-(aminomethyl)phenyl]thiophene-2-carboxylic acid
CID 150344942
5-[4-(carboxymethyl)-5-[5-[3-(carboxymethyl)-5-isocyanothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylic acid
CID 155642691
methyl 5-(5-methoxycarbonylthiophen-2-yl)thiophene-2-carboxylate
CID 4072395
5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-2-carboxylic acid
CID 13413513
5-[5-(3,5-diethyl-4-formylphenyl)thiophen-2-yl]thiophene-2-carboxylic acid
CID 141257790
5-[5-(2-ethyl-4-formyl-3-methylphenyl)thiophen-2-yl]thiophene-2-carboxylic acid
CID 141257926

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-carboxycyclopenta-1,3-dien-1-yl)thiophen-2-yl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[5-(4-carboxycyclopenta-1,3-dien-1-yl)thiophen-2-yl]thiophene-2-carboxylic acid (CID 123326405) is 5-[5-(4-carboxycyclopenta-1,3-dien-1-yl)thiophen-2-yl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[5-(4-carboxycyclopenta-1,3-dien-1-yl)thiophen-2-yl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[5-(4-carboxycyclopenta-1,3-dien-1-yl)thiophen-2-yl]thiophene-2-carboxylic acid is O=C(O)C1=CC=C(c2ccc(-c3ccc(C(=O)O)s3)s2)C1.
What is the InChIKey of 5-[5-(4-carboxycyclopenta-1,3-dien-1-yl)thiophen-2-yl]thiophene-2-carboxylic acid?
The InChIKey is CKLHKIFNFBULRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O4S2/c16-14(17)9-2-1-8(7-9)10-3-4-11(20-10)12-5-6-13(21-12)15(18)19/h1-6H,7H2,(H,16,17)(H,18,19).
What are the key properties of 5-[5-(4-carboxycyclopenta-1,3-dien-1-yl)thiophen-2-yl]thiophene-2-carboxylic acid?
5-[5-(4-carboxycyclopenta-1,3-dien-1-yl)thiophen-2-yl]thiophene-2-carboxylic acid has a molecular weight of 318.38 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-carboxycyclopenta-1,3-dien-1-yl)thiophen-2-yl]thiophene-2-carboxylic acid is sourced from PubChem (CID 123326405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).