4-bromo-5-ethylthiophene-2-carboxylate

C7H6BrO2S- — CID 7019239

IUPAC4-bromo-5-ethylthiophene-2-carboxylate
SMILESCCc1sc(C(=O)[O-])cc1Br
InChIInChI=1S/C7H7BrO2S/c1-2-5-4(8)3-6(11-5)7(9)10/h3H,2H2,1H3,(H,9,10)/p-1
InChIKeyIRDAEUDNKBRCAE-UHFFFAOYSA-M
MW234.09 g/mol
LogP1.44
Rot. Bonds2

About 4-bromo-5-ethylthiophene-2-carboxylate

4-bromo-5-ethylthiophene-2-carboxylate (PubChem CID 7019239) has the molecular formula C7H6BrO2S- and a molecular weight of 234.09 g/mol. Its IUPAC name is 4-bromo-5-ethylthiophene-2-carboxylate.

Molecular Properties

Compound Name4-bromo-5-ethylthiophene-2-carboxylate
PubChem CID7019239
Molecular FormulaC7H6BrO2S-
Molecular Weight234.09 g/mol
Exact Mass232.93
IUPAC Name4-bromo-5-ethylthiophene-2-carboxylate
SMILESCCc1sc(C(=O)[O-])cc1Br
InChIInChI=1S/C7H7BrO2S/c1-2-5-4(8)3-6(11-5)7(9)10/h3H,2H2,1H3,(H,9,10)/p-1
InChIKeyIRDAEUDNKBRCAE-UHFFFAOYSA-M
XLogP1.44
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.09
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

lithium 4,5-dibromothiophene-2-carboxylate
CID 19205739
4-bromo-5-propylthiophene-2-carboxylic acid
CID 3843134
4-bromo-5-ethyl-N-(4-methylpyrimidin-2-yl)thiophene-2-carboxamide
CID 2970304
4-bromo-5-ethyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 17173841
[4-(4-bromo-5-ethylthiophene-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 17173282
(4-bromo-5-ethylthiophen-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 2970245
4-bromo-5-(2-methylpropyl)thiophene-2-carboxylic acid
CID 97034609
4-bromo-5-prop-2-enylthiophene-2-carboxylic acid
CID 10562414
4-bromo-N-(2-methylbutan-2-yl)-5-propylthiophene-2-carboxamide
CID 17374379
(E)-1-(4-bromo-5-propylthiophen-2-yl)-3-(4-bromothiophen-2-yl)prop-2-en-1-one
CID 19544928
[(4-bromo-5-ethylthiophen-2-yl)methylideneamino]urea
CID 679383
4-bromo-5-propyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 17174163

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-ethylthiophene-2-carboxylate?
The IUPAC name of 4-bromo-5-ethylthiophene-2-carboxylate (CID 7019239) is 4-bromo-5-ethylthiophene-2-carboxylate.
What is the SMILES notation for 4-bromo-5-ethylthiophene-2-carboxylate?
The canonical SMILES for 4-bromo-5-ethylthiophene-2-carboxylate is CCc1sc(C(=O)[O-])cc1Br.
What is the InChIKey of 4-bromo-5-ethylthiophene-2-carboxylate?
The InChIKey is IRDAEUDNKBRCAE-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7BrO2S/c1-2-5-4(8)3-6(11-5)7(9)10/h3H,2H2,1H3,(H,9,10)/p-1.
What are the key properties of 4-bromo-5-ethylthiophene-2-carboxylate?
4-bromo-5-ethylthiophene-2-carboxylate has a molecular weight of 234.09 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-ethylthiophene-2-carboxylate is sourced from PubChem (CID 7019239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).