(3,4-dibromophenyl) sulfite

C6H3Br2O3S- — CID 57145113

IUPAC(3,4-dibromophenyl) sulfite
SMILESO=S([O-])Oc1ccc(Br)c(Br)c1
InChIInChI=1S/C6H4Br2O3S/c7-5-2-1-4(3-6(5)8)11-12(9)10/h1-3H,(H,9,10)/p-1
InChIKeyVIKXXPPEHSNWSN-UHFFFAOYSA-M
MW314.96 g/mol
LogP2.38
Rot. Bonds2

About (3,4-dibromophenyl) sulfite

(3,4-dibromophenyl) sulfite (PubChem CID 57145113) has the molecular formula C6H3Br2O3S- and a molecular weight of 314.96 g/mol. Its IUPAC name is (3,4-dibromophenyl) sulfite.

Molecular Properties

Compound Name(3,4-dibromophenyl) sulfite
PubChem CID57145113
Molecular FormulaC6H3Br2O3S-
Molecular Weight314.96 g/mol
Exact Mass312.82
IUPAC Name(3,4-dibromophenyl) sulfite
SMILESO=S([O-])Oc1ccc(Br)c(Br)c1
InChIInChI=1S/C6H4Br2O3S/c7-5-2-1-4(3-6(5)8)11-12(9)10/h1-3H,(H,9,10)/p-1
InChIKeyVIKXXPPEHSNWSN-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

(3-amino-4-bromophenyl) sulfite
CID 57196986
sodium (4-methoxyphenyl) sulfite
CID 175083766
naphthalen-2-yl sulfite;nickel
CID 175470148
1,2-dibromo-4-(3,4-dibromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)oxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 12989314
phenyl sulfite
CID 14972829
(2,4-dibromophenyl) sulfite
CID 67304229
potassium phenyl sulfite
CID 162337240
sodium phenyl sulfite
CID 68748465
[4-(trifluoromethoxy)phenyl] sulfite
CID 68538946
(8-aminonaphthalen-2-yl) sulfite
CID 174386397
1,2,3,5-tetrabromo-4-(3,4-dibromophenoxy)benzene
CID 86208463
1,2-dibromo-4-(fluoromethoxy)benzene
CID 141054271

Frequently Asked Questions

What is the IUPAC name of (3,4-dibromophenyl) sulfite?
The IUPAC name of (3,4-dibromophenyl) sulfite (CID 57145113) is (3,4-dibromophenyl) sulfite.
What is the SMILES notation for (3,4-dibromophenyl) sulfite?
The canonical SMILES for (3,4-dibromophenyl) sulfite is O=S([O-])Oc1ccc(Br)c(Br)c1.
What is the InChIKey of (3,4-dibromophenyl) sulfite?
The InChIKey is VIKXXPPEHSNWSN-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4Br2O3S/c7-5-2-1-4(3-6(5)8)11-12(9)10/h1-3H,(H,9,10)/p-1.
What are the key properties of (3,4-dibromophenyl) sulfite?
(3,4-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 (3,4-dibromophenyl) sulfite is sourced from PubChem (CID 57145113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).