dibenzofuran-4-sulfinate

C12H7O3S- — CID 20739354

IUPACdibenzofuran-4-sulfinate
SMILESO=S([O-])c1cccc2c1oc1ccccc12
InChIInChI=1S/C12H8O3S/c13-16(14)11-7-3-5-9-8-4-1-2-6-10(8)15-12(9)11/h1-7H,(H,13,14)/p-1
InChIKeyBGZAZYZINJQYGT-UHFFFAOYSA-M
MW231.25 g/mol
LogP2.82
Rot. Bonds1

About dibenzofuran-4-sulfinate

dibenzofuran-4-sulfinate (PubChem CID 20739354) has the molecular formula C12H7O3S- and a molecular weight of 231.25 g/mol. Its IUPAC name is dibenzofuran-4-sulfinate.

Molecular Properties

Compound Namedibenzofuran-4-sulfinate
PubChem CID20739354
Molecular FormulaC12H7O3S-
Molecular Weight231.25 g/mol
Exact Mass231.01
IUPAC Namedibenzofuran-4-sulfinate
SMILESO=S([O-])c1cccc2c1oc1ccccc12
InChIInChI=1S/C12H8O3S/c13-16(14)11-7-3-5-9-8-4-1-2-6-10(8)15-12(9)11/h1-7H,(H,13,14)/p-1
InChIKeyBGZAZYZINJQYGT-UHFFFAOYSA-M
XLogP2.82
TPSA53.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.82
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

CID 131879231
CID 131879231
CID 126959910
CID 126959910
sodium;dibenzofuran-4-sulfonate;hydrate
CID 23670751
1-dibenzofuran-4-ylethanone
CID 15691981
dibenzofuran-4-yl(trimethyl)silane
CID 10752569
dibenzofuran;hydrofluoride
CID 158307405
dibenzofuran;hydrate
CID 70610865
N-dibenzofuran-1-yldibenzofuran-4-amine
CID 138484831
4-anthracen-9-yldibenzofuran
CID 167187282
dibenzofuran-4-ylmethanamine
CID 82606963
1-dibenzofuran-4-ylethane-1,2-diamine
CID 66517310
N-[4-[4-(dibenzofuran-4-ylamino)phenyl]phenyl]dibenzofuran-4-amine
CID 172539034

Frequently Asked Questions

What is the IUPAC name of dibenzofuran-4-sulfinate?
The IUPAC name of dibenzofuran-4-sulfinate (CID 20739354) is dibenzofuran-4-sulfinate.
What is the SMILES notation for dibenzofuran-4-sulfinate?
The canonical SMILES for dibenzofuran-4-sulfinate is O=S([O-])c1cccc2c1oc1ccccc12.
What is the InChIKey of dibenzofuran-4-sulfinate?
The InChIKey is BGZAZYZINJQYGT-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H8O3S/c13-16(14)11-7-3-5-9-8-4-1-2-6-10(8)15-12(9)11/h1-7H,(H,13,14)/p-1.
What are the key properties of dibenzofuran-4-sulfinate?
dibenzofuran-4-sulfinate has a molecular weight of 231.25 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-4-sulfinate is sourced from PubChem (CID 20739354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).