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

C7H7BrO2S — CID 57116941

IUPACmethyl 2-(2-bromothiophen-3-yl)acetate
SMILESCOC(=O)Cc1ccsc1Br
InChIInChI=1S/C7H7BrO2S/c1-10-6(9)4-5-2-3-11-7(5)8/h2-3H,4H2,1H3
InChIKeyVRQKIUDOIMNBNZ-UHFFFAOYSA-N
MW235.10 g/mol
LogP2.23
Rot. Bonds2

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

methyl 2-(2-bromothiophen-3-yl)acetate (PubChem CID 57116941) has the molecular formula C7H7BrO2S and a molecular weight of 235.10 g/mol. Its IUPAC name is methyl 2-(2-bromothiophen-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-bromothiophen-3-yl)acetate
PubChem CID57116941
Molecular FormulaC7H7BrO2S
Molecular Weight235.10 g/mol
Exact Mass233.94
IUPAC Namemethyl 2-(2-bromothiophen-3-yl)acetate
SMILESCOC(=O)Cc1ccsc1Br
InChIInChI=1S/C7H7BrO2S/c1-10-6(9)4-5-2-3-11-7(5)8/h2-3H,4H2,1H3
InChIKeyVRQKIUDOIMNBNZ-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

2-(2-Bromothiophen-3-yl)acetic acid
CID 53720049
Methyl 3-thienylacetate
CID 94041
Ethyl 3-thiopheneacetate
CID 520865
2-(5-Bromo-2-methylthiophen-3-yl)acetic acid
CID 65365545
2-(2,5-Dibromothiophen-3-yl)acetic acid
CID 12694452
3-(2-Bromothiophen-3-yl)propanoic acid
CID 22733385
2-(5-Bromothiophen-3-yl)acetic acid
CID 54028802
Methyl 2-(4-bromothiophen-3-yl)acetate
CID 130739135
Ethyl 2-(4-bromothiophen-3-yl)acetate
CID 79602895
3-(5-Bromothiophen-3-yl)propanoic acid
CID 82663530
Butyl 3-thienylacetate
CID 3023340
Sodium 3-thiophenacetate
CID 23679221

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-bromothiophen-3-yl)acetate?
The IUPAC name of methyl 2-(2-bromothiophen-3-yl)acetate (CID 57116941) is methyl 2-(2-bromothiophen-3-yl)acetate.
What is the SMILES notation for methyl 2-(2-bromothiophen-3-yl)acetate?
The canonical SMILES for methyl 2-(2-bromothiophen-3-yl)acetate is COC(=O)Cc1ccsc1Br.
What is the InChIKey of methyl 2-(2-bromothiophen-3-yl)acetate?
The InChIKey is VRQKIUDOIMNBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrO2S/c1-10-6(9)4-5-2-3-11-7(5)8/h2-3H,4H2,1H3.
What are the key properties of methyl 2-(2-bromothiophen-3-yl)acetate?
methyl 2-(2-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-(2-bromothiophen-3-yl)acetate is sourced from PubChem (CID 57116941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).