methyl 2-(4-bromothiophen-3-yl)acetate

C7H7BrO2S — CID 130739135

IUPACmethyl 2-(4-bromothiophen-3-yl)acetate
SMILESCOC(=O)Cc1cscc1Br
InChIInChI=1S/C7H7BrO2S/c1-10-7(9)2-5-3-11-4-6(5)8/h3-4H,2H2,1H3
InChIKeyPWSNLCOJAUIYLK-UHFFFAOYSA-N
MW235.10 g/mol
LogP2.23
Rot. Bonds2

About methyl 2-(4-bromothiophen-3-yl)acetate

methyl 2-(4-bromothiophen-3-yl)acetate (PubChem CID 130739135) has the molecular formula C7H7BrO2S and a molecular weight of 235.10 g/mol. Its IUPAC name is methyl 2-(4-bromothiophen-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-bromothiophen-3-yl)acetate
PubChem CID130739135
Molecular FormulaC7H7BrO2S
Molecular Weight235.10 g/mol
Exact Mass233.94
IUPAC Namemethyl 2-(4-bromothiophen-3-yl)acetate
SMILESCOC(=O)Cc1cscc1Br
InChIInChI=1S/C7H7BrO2S/c1-10-7(9)2-5-3-11-4-6(5)8/h3-4H,2H2,1H3
InChIKeyPWSNLCOJAUIYLK-UHFFFAOYSA-N
XLogP2.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.10
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[4-(2-methoxy-2-oxoethyl)thiophen-3-yl]acetate
CID 100929989
4-(2-methoxy-2-oxoethyl)thiophene-3-carboxylic acid
CID 14326173
methyl 2-[2,5-dibromo-4-(methylperoxymethyl)phenyl]acetate
CID 88955233
N-[(4-bromothiophen-3-yl)methyl]-2-methoxyethanamine
CID 79595767
methyl 2-(3-bromo-5-methoxy-2-methylphenyl)acetate
CID 154729409
methyl 2-(2,3-dibromo-5-chlorophenyl)acetate
CID 171033944
methyl 2-(4-bromo-2-chloro-3-hydroxyphenyl)acetate
CID 171027468
methyl 2-(5-bromo-2-fluoro-4-hydroxyphenyl)acetate
CID 131090787
methyl 2-[4-bromo-2-(methoxymethyl)phenyl]acetate
CID 141482176
methyl 2-(6-amino-4-bromo-3-pyridinyl)acetate
CID 130631453
methyl 2-(6-amino-5-bromo-2-pyridinyl)acetate
CID 130681822
methyl 2-[4-bromo-3-(methoxymethyl)phenyl]acetate
CID 163292027

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromothiophen-3-yl)acetate?
The IUPAC name of methyl 2-(4-bromothiophen-3-yl)acetate (CID 130739135) is methyl 2-(4-bromothiophen-3-yl)acetate.
What is the SMILES notation for methyl 2-(4-bromothiophen-3-yl)acetate?
The canonical SMILES for methyl 2-(4-bromothiophen-3-yl)acetate is COC(=O)Cc1cscc1Br.
What is the InChIKey of methyl 2-(4-bromothiophen-3-yl)acetate?
The InChIKey is PWSNLCOJAUIYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrO2S/c1-10-7(9)2-5-3-11-4-6(5)8/h3-4H,2H2,1H3.
What are the key properties of methyl 2-(4-bromothiophen-3-yl)acetate?
methyl 2-(4-bromothiophen-3-yl)acetate has a molecular weight of 235.10 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-bromothiophen-3-yl)acetate is sourced from PubChem (CID 130739135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).