1-(4-bromo-5-methylthiophen-2-yl)cyclopropane-1-carboxylic acid

C9H9BrO2S — CID 84806704

IUPAC1-(4-bromo-5-methylthiophen-2-yl)cyclopropane-1-carboxylic acid
SMILESCc1sc(C2(C(=O)O)CC2)cc1Br
InChIInChI=1S/C9H9BrO2S/c1-5-6(10)4-7(13-5)9(2-3-9)8(11)12/h4H,2-3H2,1H3,(H,11,12)
InChIKeyLELSERSNUDGKQC-UHFFFAOYSA-N
MW261.14 g/mol
LogP2.94
Rot. Bonds2

About 1-(4-bromo-5-methylthiophen-2-yl)cyclopropane-1-carboxylic acid

1-(4-bromo-5-methylthiophen-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 84806704) has the molecular formula C9H9BrO2S and a molecular weight of 261.14 g/mol. Its IUPAC name is 1-(4-bromo-5-methylthiophen-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-bromo-5-methylthiophen-2-yl)cyclopropane-1-carboxylic acid
PubChem CID84806704
Molecular FormulaC9H9BrO2S
Molecular Weight261.14 g/mol
Exact Mass259.95
IUPAC Name1-(4-bromo-5-methylthiophen-2-yl)cyclopropane-1-carboxylic acid
SMILESCc1sc(C2(C(=O)O)CC2)cc1Br
InChIInChI=1S/C9H9BrO2S/c1-5-6(10)4-7(13-5)9(2-3-9)8(11)12/h4H,2-3H2,1H3,(H,11,12)
InChIKeyLELSERSNUDGKQC-UHFFFAOYSA-N
XLogP2.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.14
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylic acid
CID 123465513
1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropane-1-carboxylic acid
CID 96794208
1-(3-bromo-4-hydroxy-5-methylphenyl)cyclopropane-1-carboxylic acid
CID 117430241
1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopropane-1-carboxylic acid
CID 117469962
2-[1-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopentyl]acetic acid
CID 102828905
1-(2-bromo-1,3-thiazol-5-yl)cyclopentane-1-carboxylic acid
CID 177324098
2-[1-[2-(4-bromo-5-methylthiophen-2-yl)-2-hydroxyethyl]cyclopentyl]acetic acid
CID 102828999
1-(2-bromo-4,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 117443504
1-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxylic acid
CID 82285493
1-(3-bromo-6-methoxy-2,4-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 138473188
1-(4-bromo-2-fluoro-3-methylphenyl)cyclopropane-1-carboxylic acid
CID 117434862
1-(3-bromo-2-hydroxy-4,5-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 117458823

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)cyclopropane-1-carboxylic acid (CID 84806704) is 1-(4-bromo-5-methylthiophen-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(4-bromo-5-methylthiophen-2-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(4-bromo-5-methylthiophen-2-yl)cyclopropane-1-carboxylic acid is Cc1sc(C2(C(=O)O)CC2)cc1Br.
What is the InChIKey of 1-(4-bromo-5-methylthiophen-2-yl)cyclopropane-1-carboxylic acid?
The InChIKey is LELSERSNUDGKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO2S/c1-5-6(10)4-7(13-5)9(2-3-9)8(11)12/h4H,2-3H2,1H3,(H,11,12).
What are the key properties of 1-(4-bromo-5-methylthiophen-2-yl)cyclopropane-1-carboxylic acid?
1-(4-bromo-5-methylthiophen-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 261.14 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-methylthiophen-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 84806704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).