(4-hydroxyphenyl) sulfite

C6H5O4S- — CID 22003406

IUPAC(4-hydroxyphenyl) sulfite
SMILESO=S([O-])Oc1ccc(O)cc1
InChIInChI=1S/C6H6O4S/c7-5-1-3-6(4-2-5)10-11(8)9/h1-4,7H,(H,8,9)/p-1
InChIKeyDUXLJDRBDBHXTC-UHFFFAOYSA-M
MW173.17 g/mol
LogP0.57
Rot. Bonds2

About (4-hydroxyphenyl) sulfite

(4-hydroxyphenyl) sulfite (PubChem CID 22003406) has the molecular formula C6H5O4S- and a molecular weight of 173.17 g/mol. Its IUPAC name is (4-hydroxyphenyl) sulfite.

Molecular Properties

Compound Name(4-hydroxyphenyl) sulfite
PubChem CID22003406
Molecular FormulaC6H5O4S-
Molecular Weight173.17 g/mol
Exact Mass172.99
IUPAC Name(4-hydroxyphenyl) sulfite
SMILESO=S([O-])Oc1ccc(O)cc1
InChIInChI=1S/C6H6O4S/c7-5-1-3-6(4-2-5)10-11(8)9/h1-4,7H,(H,8,9)/p-1
InChIKeyDUXLJDRBDBHXTC-UHFFFAOYSA-M
XLogP0.57
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl) sulfite?
The IUPAC name of (4-hydroxyphenyl) sulfite (CID 22003406) is (4-hydroxyphenyl) sulfite.
What is the SMILES notation for (4-hydroxyphenyl) sulfite?
The canonical SMILES for (4-hydroxyphenyl) sulfite is O=S([O-])Oc1ccc(O)cc1.
What is the InChIKey of (4-hydroxyphenyl) sulfite?
The InChIKey is DUXLJDRBDBHXTC-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6O4S/c7-5-1-3-6(4-2-5)10-11(8)9/h1-4,7H,(H,8,9)/p-1.
What are the key properties of (4-hydroxyphenyl) sulfite?
(4-hydroxyphenyl) sulfite has a molecular weight of 173.17 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl) sulfite is sourced from PubChem (CID 22003406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).