ethyl 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carboxylate

C15H12O2S3 — CID 58814529

IUPACethyl 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccc(-c3cccs3)s2)s1
InChIInChI=1S/C15H12O2S3/c1-2-17-15(16)14-8-7-13(20-14)12-6-5-11(19-12)10-4-3-9-18-10/h3-9H,2H2,1H3
InChIKeyRFBKGGGRWCASGY-UHFFFAOYSA-N
MW320.46 g/mol
LogP5.38
Rot. Bonds4

About ethyl 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carboxylate

ethyl 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carboxylate (PubChem CID 58814529) has the molecular formula C15H12O2S3 and a molecular weight of 320.46 g/mol. Its IUPAC name is ethyl 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carboxylate
PubChem CID58814529
Molecular FormulaC15H12O2S3
Molecular Weight320.46 g/mol
Exact Mass320.00
IUPAC Nameethyl 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccc(-c3cccs3)s2)s1
InChIInChI=1S/C15H12O2S3/c1-2-17-15(16)14-8-7-13(20-14)12-6-5-11(19-12)10-4-3-9-18-10/h3-9H,2H2,1H3
InChIKeyRFBKGGGRWCASGY-UHFFFAOYSA-N
XLogP5.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.46
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole-5-carboxylate
CID 66644585
ethyl 5-(5-thiophen-2-ylthiophen-2-yl)-1,3,4-thiadiazole-2-carboxylate
CID 66647225
4-prop-2-enoyloxybutyl 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carboxylate
CID 177442308
ethyl thiophene-2-carboxylate;2-phenylthiophene
CID 173392308
5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carbonyl chloride
CID 58729671
2-bromo-1-(5-thiophen-2-ylthiophen-2-yl)ethanone
CID 130133420
ethyl (2S)-3-hydroxy-2-[[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]amino]propanoate
CID 21138918
2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
ethyl 5-methyl-4-thiophen-2-yl-1,3-thiazole-2-carboxylate
CID 61385398
ethyl 3-oxo-1-phenyl-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]indene-2-carboxylate
CID 139204494
ethyl 3-thiophen-2-ylbenzoate
CID 162653930
ethyl 3-methylidene-1-phenyl-5-(5-thiophen-2-ylthiophen-2-yl)indene-2-carboxylate
CID 122212817

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carboxylate?
The IUPAC name of ethyl 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carboxylate (CID 58814529) is ethyl 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carboxylate?
The canonical SMILES for ethyl 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carboxylate is CCOC(=O)c1ccc(-c2ccc(-c3cccs3)s2)s1.
What is the InChIKey of ethyl 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carboxylate?
The InChIKey is RFBKGGGRWCASGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2S3/c1-2-17-15(16)14-8-7-13(20-14)12-6-5-11(19-12)10-4-3-9-18-10/h3-9H,2H2,1H3.
What are the key properties of ethyl 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carboxylate?
ethyl 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carboxylate has a molecular weight of 320.46 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carboxylate is sourced from PubChem (CID 58814529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).