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

C7H7BrO2S — CID 67367159

IUPACmethyl 2-(4-bromothiophen-2-yl)acetate
SMILESCOC(=O)Cc1cc(Br)cs1
InChIInChI=1S/C7H7BrO2S/c1-10-7(9)3-6-2-5(8)4-11-6/h2,4H,3H2,1H3
InChIKeyDADHKWSUZCRADL-UHFFFAOYSA-N
MW235.10 g/mol
LogP2.23
Rot. Bonds2

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

methyl 2-(4-bromothiophen-2-yl)acetate (PubChem CID 67367159) has the molecular formula C7H7BrO2S and a molecular weight of 235.10 g/mol. Its IUPAC name is methyl 2-(4-bromothiophen-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-bromothiophen-2-yl)acetate
PubChem CID67367159
Molecular FormulaC7H7BrO2S
Molecular Weight235.10 g/mol
Exact Mass233.94
IUPAC Namemethyl 2-(4-bromothiophen-2-yl)acetate
SMILESCOC(=O)Cc1cc(Br)cs1
InChIInChI=1S/C7H7BrO2S/c1-10-7(9)3-6-2-5(8)4-11-6/h2,4H,3H2,1H3
InChIKeyDADHKWSUZCRADL-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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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromothiophen-2-yl)acetate?
The IUPAC name of methyl 2-(4-bromothiophen-2-yl)acetate (CID 67367159) is methyl 2-(4-bromothiophen-2-yl)acetate.
What is the SMILES notation for methyl 2-(4-bromothiophen-2-yl)acetate?
The canonical SMILES for methyl 2-(4-bromothiophen-2-yl)acetate is COC(=O)Cc1cc(Br)cs1.
What is the InChIKey of methyl 2-(4-bromothiophen-2-yl)acetate?
The InChIKey is DADHKWSUZCRADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrO2S/c1-10-7(9)3-6-2-5(8)4-11-6/h2,4H,3H2,1H3.
What are the key properties of methyl 2-(4-bromothiophen-2-yl)acetate?
methyl 2-(4-bromothiophen-2-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-2-yl)acetate is sourced from PubChem (CID 67367159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).