2-(3-bromothiophen-2-yl)acetic acid

C6H5BrO2S — CID 21260735

IUPAC2-(3-bromothiophen-2-yl)acetic acid
SMILESO=C(O)Cc1sccc1Br
InChIInChI=1S/C6H5BrO2S/c7-4-1-2-10-5(4)3-6(8)9/h1-2H,3H2,(H,8,9)
InChIKeyWTCIRZGAUYRFGT-UHFFFAOYSA-N
MW221.07 g/mol
LogP2.14
Rot. Bonds2

About 2-(3-bromothiophen-2-yl)acetic acid

2-(3-bromothiophen-2-yl)acetic acid (PubChem CID 21260735) has the molecular formula C6H5BrO2S and a molecular weight of 221.07 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)acetic acid
PubChem CID21260735
Molecular FormulaC6H5BrO2S
Molecular Weight221.07 g/mol
Exact Mass219.92
IUPAC Name2-(3-bromothiophen-2-yl)acetic acid
SMILESO=C(O)Cc1sccc1Br
InChIInChI=1S/C6H5BrO2S/c7-4-1-2-10-5(4)3-6(8)9/h1-2H,3H2,(H,8,9)
InChIKeyWTCIRZGAUYRFGT-UHFFFAOYSA-N
XLogP2.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.07
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)acetic acid?
The IUPAC name of 2-(3-bromothiophen-2-yl)acetic acid (CID 21260735) is 2-(3-bromothiophen-2-yl)acetic acid.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)acetic acid?
The canonical SMILES for 2-(3-bromothiophen-2-yl)acetic acid is O=C(O)Cc1sccc1Br.
What is the InChIKey of 2-(3-bromothiophen-2-yl)acetic acid?
The InChIKey is WTCIRZGAUYRFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrO2S/c7-4-1-2-10-5(4)3-6(8)9/h1-2H,3H2,(H,8,9).
What are the key properties of 2-(3-bromothiophen-2-yl)acetic acid?
2-(3-bromothiophen-2-yl)acetic acid has a molecular weight of 221.07 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)acetic acid is sourced from PubChem (CID 21260735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).