2-bromo-4,5-dimethylthiophene-3-carboxylic acid

C7H7BrO2S — CID 11128264

IUPAC2-bromo-4,5-dimethylthiophene-3-carboxylic acid
SMILESCc1sc(Br)c(C(=O)O)c1C
InChIInChI=1S/C7H7BrO2S/c1-3-4(2)11-6(8)5(3)7(9)10/h1-2H3,(H,9,10)
InChIKeyVPLITVQPROCSGC-UHFFFAOYSA-N
MW235.10 g/mol
LogP2.83
Rot. Bonds1

About 2-bromo-4,5-dimethylthiophene-3-carboxylic acid

2-bromo-4,5-dimethylthiophene-3-carboxylic acid (PubChem CID 11128264) has the molecular formula C7H7BrO2S and a molecular weight of 235.10 g/mol. Its IUPAC name is 2-bromo-4,5-dimethylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-bromo-4,5-dimethylthiophene-3-carboxylic acid
PubChem CID11128264
Molecular FormulaC7H7BrO2S
Molecular Weight235.10 g/mol
Exact Mass233.94
IUPAC Name2-bromo-4,5-dimethylthiophene-3-carboxylic acid
SMILESCc1sc(Br)c(C(=O)O)c1C
InChIInChI=1S/C7H7BrO2S/c1-3-4(2)11-6(8)5(3)7(9)10/h1-2H3,(H,9,10)
InChIKeyVPLITVQPROCSGC-UHFFFAOYSA-N
XLogP2.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.10
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Trimethylthiophene-2-carboxylic acid
CID 10877558
4,5-Dimethylthiophene-3-carboxylic acid
CID 818943
3,4-Dimethylthiophene-2-carboxylic acid
CID 19961023
5-Bromo-4-methylthiophene-2-carboxylic acid
CID 21899459
4-Ethyl-5-methylthiophene-3-carboxylic acid
CID 3427251
3-Bromo-4-methylthiophene-2-carboxylic acid
CID 819065
4-Bromo-3-methylthiophene-2-carboxylic acid
CID 2757073
5-Bromo-3-methylthiophene-2-carboxylic acid
CID 18176663
Ethyl 2-bromo-4,5-dimethylthiophene-3-carboxylate
CID 18993716
4,5-Dibromo-3-methyl-2-thiophenecarboxylic acid
CID 44248130
2-Bromo-5-ethylthiophene-3-carboxylic acid
CID 59542522
5-Bromo-2-methylthiophene-3-carboxylic acid
CID 65639309

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,5-dimethylthiophene-3-carboxylic acid?
The IUPAC name of 2-bromo-4,5-dimethylthiophene-3-carboxylic acid (CID 11128264) is 2-bromo-4,5-dimethylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-bromo-4,5-dimethylthiophene-3-carboxylic acid?
The canonical SMILES for 2-bromo-4,5-dimethylthiophene-3-carboxylic acid is Cc1sc(Br)c(C(=O)O)c1C.
What is the InChIKey of 2-bromo-4,5-dimethylthiophene-3-carboxylic acid?
The InChIKey is VPLITVQPROCSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrO2S/c1-3-4(2)11-6(8)5(3)7(9)10/h1-2H3,(H,9,10).
What are the key properties of 2-bromo-4,5-dimethylthiophene-3-carboxylic acid?
2-bromo-4,5-dimethylthiophene-3-carboxylic acid has a molecular weight of 235.10 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,5-dimethylthiophene-3-carboxylic acid is sourced from PubChem (CID 11128264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).