2-(2,4-dibromophenyl)sulfinylacetic acid

C8H6Br2O3S — CID 15721378

IUPAC2-(2,4-dibromophenyl)sulfinylacetic acid
SMILESO=C(O)CS(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C8H6Br2O3S/c9-5-1-2-7(6(10)3-5)14(13)4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKeyXURLVPZEIAVEGL-UHFFFAOYSA-N
MW342.01 g/mol
LogP2.40
Rot. Bonds3

About 2-(2,4-dibromophenyl)sulfinylacetic acid

2-(2,4-dibromophenyl)sulfinylacetic acid (PubChem CID 15721378) has the molecular formula C8H6Br2O3S and a molecular weight of 342.01 g/mol. Its IUPAC name is 2-(2,4-dibromophenyl)sulfinylacetic acid.

Molecular Properties

Compound Name2-(2,4-dibromophenyl)sulfinylacetic acid
PubChem CID15721378
Molecular FormulaC8H6Br2O3S
Molecular Weight342.01 g/mol
Exact Mass339.84
IUPAC Name2-(2,4-dibromophenyl)sulfinylacetic acid
SMILESO=C(O)CS(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C8H6Br2O3S/c9-5-1-2-7(6(10)3-5)14(13)4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKeyXURLVPZEIAVEGL-UHFFFAOYSA-N
XLogP2.40
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.01
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-amino-4-bromophenyl)sulfinyl-N-carbamoylacetamide
CID 81185948
2-(4-amino-2-bromophenyl)sulfinyl-N-carbamoylacetamide
CID 82835026
2-[(4-bromo-2-methylphenyl)methylsulfinyl]acetic acid
CID 122156890
2-(4-amino-2-bromophenyl)sulfinyl-N-propan-2-ylacetamide
CID 82833724
2,4-dibromobenzoic acid
CID 11896
2-naphthalen-1-ylsulfinylacetic acid
CID 121009246
4-bromo-2-(2-oxo-2-piperidin-1-ylethyl)sulfinylbenzoic acid
CID 115382458
2-(2-amino-5-bromophenyl)sulfinyl-N-cyclopropylacetamide
CID 81207741
2-(4-amino-2-bromophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide
CID 82833615
3-(2,4-dibromoanilino)-3-oxopropanoic acid
CID 62230789
2-(4-amino-2-bromophenyl)sulfinyl-N-cyclopentylacetamide
CID 82833917
2-(2-amino-4-bromophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide
CID 81185083

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenyl)sulfinylacetic acid?
The IUPAC name of 2-(2,4-dibromophenyl)sulfinylacetic acid (CID 15721378) is 2-(2,4-dibromophenyl)sulfinylacetic acid.
What is the SMILES notation for 2-(2,4-dibromophenyl)sulfinylacetic acid?
The canonical SMILES for 2-(2,4-dibromophenyl)sulfinylacetic acid is O=C(O)CS(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2-(2,4-dibromophenyl)sulfinylacetic acid?
The InChIKey is XURLVPZEIAVEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2O3S/c9-5-1-2-7(6(10)3-5)14(13)4-8(11)12/h1-3H,4H2,(H,11,12).
What are the key properties of 2-(2,4-dibromophenyl)sulfinylacetic acid?
2-(2,4-dibromophenyl)sulfinylacetic acid has a molecular weight of 342.01 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenyl)sulfinylacetic acid is sourced from PubChem (CID 15721378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).