(2R)-2-bromo-2-thiophen-3-ylacetic acid

C6H5BrO2S — CID 124578230

IUPAC(2R)-2-bromo-2-thiophen-3-ylacetic acid
SMILESO=C(O)[C@H](Br)c1ccsc1
InChIInChI=1S/C6H5BrO2S/c7-5(6(8)9)4-1-2-10-3-4/h1-3,5H,(H,8,9)/t5-/m1/s1
InChIKeyIZXWOAFOVWHPLU-RXMQYKEDSA-N
MW221.08 g/mol
LogP2.27
Rot. Bonds2

About (2R)-2-bromo-2-thiophen-3-ylacetic acid

(2R)-2-bromo-2-thiophen-3-ylacetic acid (PubChem CID 124578230) has the molecular formula C6H5BrO2S and a molecular weight of 221.08 g/mol. Its IUPAC name is (2R)-2-bromo-2-thiophen-3-ylacetic acid.

Molecular Properties

Compound Name(2R)-2-bromo-2-thiophen-3-ylacetic acid
PubChem CID124578230
Molecular FormulaC6H5BrO2S
Molecular Weight221.08 g/mol
Exact Mass219.92
IUPAC Name(2R)-2-bromo-2-thiophen-3-ylacetic acid
SMILESO=C(O)[C@H](Br)c1ccsc1
InChIInChI=1S/C6H5BrO2S/c7-5(6(8)9)4-1-2-10-3-4/h1-3,5H,(H,8,9)/t5-/m1/s1
InChIKeyIZXWOAFOVWHPLU-RXMQYKEDSA-N
XLogP2.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.08
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-bromo-2-thiophen-3-ylacetate
CID 99645005
2-thiophen-3-ylpropanoic acid;hydrochloride
CID 67842901
2-hydroxy-4-phenyl-3-thiophen-3-ylbutanoic acid
CID 139966459
3-amino-2,3-di(thiophen-3-yl)propanoic acid
CID 170871482
2-sulfanyl-3-thiophen-3-ylbutanoic acid
CID 174552094
2,4-di(thiophen-3-yl)pentan-3-one
CID 67673002
(3R)-3-thiophen-3-ylbutan-2-one
CID 90139651
(5R)-5-amino-5-thiophen-3-ylpentanoic acid
CID 55264344
4-phenyl-3-thiophen-3-ylpentan-2-one
CID 174672241
2-(methoxycarbonylamino)-2-thiophen-3-ylacetic acid
CID 59610805
3-(1-bromobutyl)thiophene
CID 174787739
4-[(S)-amino(thiophen-3-yl)methyl]benzoic acid
CID 171198152

Frequently Asked Questions

What is the IUPAC name of (2R)-2-bromo-2-thiophen-3-ylacetic acid?
The IUPAC name of (2R)-2-bromo-2-thiophen-3-ylacetic acid (CID 124578230) is (2R)-2-bromo-2-thiophen-3-ylacetic acid.
What is the SMILES notation for (2R)-2-bromo-2-thiophen-3-ylacetic acid?
The canonical SMILES for (2R)-2-bromo-2-thiophen-3-ylacetic acid is O=C(O)[C@H](Br)c1ccsc1.
What is the InChIKey of (2R)-2-bromo-2-thiophen-3-ylacetic acid?
The InChIKey is IZXWOAFOVWHPLU-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H5BrO2S/c7-5(6(8)9)4-1-2-10-3-4/h1-3,5H,(H,8,9)/t5-/m1/s1.
What are the key properties of (2R)-2-bromo-2-thiophen-3-ylacetic acid?
(2R)-2-bromo-2-thiophen-3-ylacetic acid has a molecular weight of 221.08 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-bromo-2-thiophen-3-ylacetic acid is sourced from PubChem (CID 124578230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).