(2,4-dibromophenyl) sulfite

C6H3Br2O3S- — CID 67304229

IUPAC(2,4-dibromophenyl) sulfite
SMILESO=S([O-])Oc1ccc(Br)cc1Br
InChIInChI=1S/C6H4Br2O3S/c7-4-1-2-6(5(8)3-4)11-12(9)10/h1-3H,(H,9,10)/p-1
InChIKeyPYIGICRFIPIHQH-UHFFFAOYSA-M
MW314.96 g/mol
LogP2.38
Rot. Bonds2

About (2,4-dibromophenyl) sulfite

(2,4-dibromophenyl) sulfite (PubChem CID 67304229) has the molecular formula C6H3Br2O3S- and a molecular weight of 314.96 g/mol. Its IUPAC name is (2,4-dibromophenyl) sulfite.

Molecular Properties

Compound Name(2,4-dibromophenyl) sulfite
PubChem CID67304229
Molecular FormulaC6H3Br2O3S-
Molecular Weight314.96 g/mol
Exact Mass312.82
IUPAC Name(2,4-dibromophenyl) sulfite
SMILESO=S([O-])Oc1ccc(Br)cc1Br
InChIInChI=1S/C6H4Br2O3S/c7-4-1-2-6(5(8)3-4)11-12(9)10/h1-3H,(H,9,10)/p-1
InChIKeyPYIGICRFIPIHQH-UHFFFAOYSA-M
XLogP2.38
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.96
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(2,4-dibromophenyl) carbonate
CID 54492294
(3,4-dibromophenyl) sulfite
CID 57145113
sodium 5-bromo-2-methoxybenzenesulfinate
CID 67162120
(2,4-dibromophenyl) carbonofluoridate
CID 165349274
1,4-dibromo-2-(2,4-dibromophenoxy)benzene
CID 15509892
1-(2,4-dibromophenoxy)butan-2-one
CID 62038524
(3-amino-4-bromophenyl) sulfite
CID 57196986
(2,4-dibromophenyl) 2-hydroxyacetate
CID 130668337
1,2,3-tribromo-5-(2,4-dibromophenoxy)benzene
CID 86208553
2,4-dibromo-1-[2-bromo-4-(bromomethyl)phenoxy]benzene
CID 114062644
1,4-dibromo-2-[2-(2,4-dibromophenoxy)ethoxy]benzene
CID 59907339
(2,4-dibromophenyl) cyclopropanecarboxylate
CID 836257

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromophenyl) sulfite?
The IUPAC name of (2,4-dibromophenyl) sulfite (CID 67304229) is (2,4-dibromophenyl) sulfite.
What is the SMILES notation for (2,4-dibromophenyl) sulfite?
The canonical SMILES for (2,4-dibromophenyl) sulfite is O=S([O-])Oc1ccc(Br)cc1Br.
What is the InChIKey of (2,4-dibromophenyl) sulfite?
The InChIKey is PYIGICRFIPIHQH-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4Br2O3S/c7-4-1-2-6(5(8)3-4)11-12(9)10/h1-3H,(H,9,10)/p-1.
What are the key properties of (2,4-dibromophenyl) sulfite?
(2,4-dibromophenyl) sulfite has a molecular weight of 314.96 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromophenyl) sulfite is sourced from PubChem (CID 67304229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).