1,1-dibromo-2-(2,4-dichlorophenyl)ethanesulfinic acid

C8H6Br2Cl2O2S — CID 66789276

IUPAC1,1-dibromo-2-(2,4-dichlorophenyl)ethanesulfinic acid
SMILESO=S(O)C(Br)(Br)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H6Br2Cl2O2S/c9-8(10,15(13)14)4-5-1-2-6(11)3-7(5)12/h1-3H,4H2,(H,13,14)
InChIKeyFNIQDGVFRJZTNC-UHFFFAOYSA-N
MW396.92 g/mol
LogP4.20
Rot. Bonds3

About 1,1-dibromo-2-(2,4-dichlorophenyl)ethanesulfinic acid

1,1-dibromo-2-(2,4-dichlorophenyl)ethanesulfinic acid (PubChem CID 66789276) has the molecular formula C8H6Br2Cl2O2S and a molecular weight of 396.92 g/mol. Its IUPAC name is 1,1-dibromo-2-(2,4-dichlorophenyl)ethanesulfinic acid.

Molecular Properties

Compound Name1,1-dibromo-2-(2,4-dichlorophenyl)ethanesulfinic acid
PubChem CID66789276
Molecular FormulaC8H6Br2Cl2O2S
Molecular Weight396.92 g/mol
Exact Mass393.78
IUPAC Name1,1-dibromo-2-(2,4-dichlorophenyl)ethanesulfinic acid
SMILESO=S(O)C(Br)(Br)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H6Br2Cl2O2S/c9-8(10,15(13)14)4-5-1-2-6(11)3-7(5)12/h1-3H,4H2,(H,13,14)
InChIKeyFNIQDGVFRJZTNC-UHFFFAOYSA-N
XLogP4.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-1-[2,2-dibromo-2-[1,1-dibromo-2-(2,4-dichlorophenyl)ethyl]sulfonylethyl]benzene
CID 87151632
(2S)-2-amino-2-[(2,4-dichlorophenyl)methyl]-3,3-dimethylbutanoic acid
CID 159514027
2,4-dichloro-1-[1,1-dichloro-2-(2,4-dichlorophenyl)ethyl]benzene
CID 122575608
1-[3-bromo-2-(bromomethyl)-2-(4-chlorophenyl)propyl]-2,4-dichlorobenzene
CID 79446063
[1-(2,4-dichlorophenyl)-2-methylpropan-2-yl]-hydroxy-dimethylsilane
CID 70809258
2-[(2,4-dichlorophenyl)methylsulfinyl]acetic acid
CID 60982109
1-chloro-4-(2,4-dichlorophenyl)butan-2-one
CID 20507775
dideuterio-(2,4-dichlorophenyl)methanol
CID 71751981
1-[2,2-bis(chloromethyl)butyl]-2,4-dichlorobenzene
CID 79447331
N-[(2,4-dichlorophenyl)methyl]carbamoyl bromide
CID 115193657
1-(2,4-dichlorophenyl)-2-thiophen-2-ylpropan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 1,1-dibromo-2-(2,4-dichlorophenyl)ethanesulfinic acid?
The IUPAC name of 1,1-dibromo-2-(2,4-dichlorophenyl)ethanesulfinic acid (CID 66789276) is 1,1-dibromo-2-(2,4-dichlorophenyl)ethanesulfinic acid.
What is the SMILES notation for 1,1-dibromo-2-(2,4-dichlorophenyl)ethanesulfinic acid?
The canonical SMILES for 1,1-dibromo-2-(2,4-dichlorophenyl)ethanesulfinic acid is O=S(O)C(Br)(Br)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1,1-dibromo-2-(2,4-dichlorophenyl)ethanesulfinic acid?
The InChIKey is FNIQDGVFRJZTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2Cl2O2S/c9-8(10,15(13)14)4-5-1-2-6(11)3-7(5)12/h1-3H,4H2,(H,13,14).
What are the key properties of 1,1-dibromo-2-(2,4-dichlorophenyl)ethanesulfinic acid?
1,1-dibromo-2-(2,4-dichlorophenyl)ethanesulfinic acid has a molecular weight of 396.92 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromo-2-(2,4-dichlorophenyl)ethanesulfinic acid is sourced from PubChem (CID 66789276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).