dibenzofuran-2-yl hydrogen sulfite

C12H8O4S — CID 174423504

IUPACdibenzofuran-2-yl hydrogen sulfite
SMILESO=S(O)Oc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C12H8O4S/c13-17(14)16-8-5-6-12-10(7-8)9-3-1-2-4-11(9)15-12/h1-7H,(H,13,14)
InChIKeyCDGUFFSKOFNQLM-UHFFFAOYSA-N
MW248.26 g/mol
LogP3.10
Rot. Bonds2

About dibenzofuran-2-yl hydrogen sulfite

dibenzofuran-2-yl hydrogen sulfite (PubChem CID 174423504) has the molecular formula C12H8O4S and a molecular weight of 248.26 g/mol. Its IUPAC name is dibenzofuran-2-yl hydrogen sulfite.

Molecular Properties

Compound Namedibenzofuran-2-yl hydrogen sulfite
PubChem CID174423504
Molecular FormulaC12H8O4S
Molecular Weight248.26 g/mol
Exact Mass248.01
IUPAC Namedibenzofuran-2-yl hydrogen sulfite
SMILESO=S(O)Oc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C12H8O4S/c13-17(14)16-8-5-6-12-10(7-8)9-3-1-2-4-11(9)15-12/h1-7H,(H,13,14)
InChIKeyCDGUFFSKOFNQLM-UHFFFAOYSA-N
XLogP3.10
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 67500547
CID 67500547
1-dibenzofuran-2-yloxydibenzofuran-2-ol
CID 135058246
2-dibenzofuran-2-yl-8-dibenzofuran-2-yloxydibenzofuran
CID 90250402
dibenzofuran-2-yl 3-methylbut-2-enoate
CID 30707785
3-dibenzofuran-2-yloxybutanoic acid
CID 43536200
dibenzofuran-2-yl 2-phenoxyacetate
CID 2591809
2-(N-sulfinoanilino)dibenzofuran
CID 57088845
dibenzofuran-2-yl 3,5-dimethoxybenzoate
CID 4314506
4-dibenzofuran-2-yloxybut-2-enoic acid
CID 76940836
dibenzofuran-2-yl 3-chlorobenzoate
CID 3985789
5-chloro-4-dibenzofuran-2-yloxypyrimidine
CID 166218206
dibenzofuran-2-yl (E)-3-cyclopropylprop-2-enoate
CID 167835618

Frequently Asked Questions

What is the IUPAC name of dibenzofuran-2-yl hydrogen sulfite?
The IUPAC name of dibenzofuran-2-yl hydrogen sulfite (CID 174423504) is dibenzofuran-2-yl hydrogen sulfite.
What is the SMILES notation for dibenzofuran-2-yl hydrogen sulfite?
The canonical SMILES for dibenzofuran-2-yl hydrogen sulfite is O=S(O)Oc1ccc2oc3ccccc3c2c1.
What is the InChIKey of dibenzofuran-2-yl hydrogen sulfite?
The InChIKey is CDGUFFSKOFNQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O4S/c13-17(14)16-8-5-6-12-10(7-8)9-3-1-2-4-11(9)15-12/h1-7H,(H,13,14).
What are the key properties of dibenzofuran-2-yl hydrogen sulfite?
dibenzofuran-2-yl hydrogen sulfite has a molecular weight of 248.26 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-2-yl hydrogen sulfite is sourced from PubChem (CID 174423504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).