(4-iodophenyl)methyl sulfite

C7H6IO3S- — CID 174745902

IUPAC(4-iodophenyl)methyl sulfite
SMILESO=S([O-])OCc1ccc(I)cc1
InChIInChI=1S/C7H7IO3S/c8-7-3-1-6(2-4-7)5-11-12(9)10/h1-4H,5H2,(H,9,10)/p-1
InChIKeyVNFDWOVRDTXWMQ-UHFFFAOYSA-M
MW297.09 g/mol
LogP1.60
Rot. Bonds3

About (4-iodophenyl)methyl sulfite

(4-iodophenyl)methyl sulfite (PubChem CID 174745902) has the molecular formula C7H6IO3S- and a molecular weight of 297.09 g/mol. Its IUPAC name is (4-iodophenyl)methyl sulfite.

Molecular Properties

Compound Name(4-iodophenyl)methyl sulfite
PubChem CID174745902
Molecular FormulaC7H6IO3S-
Molecular Weight297.09 g/mol
Exact Mass296.91
IUPAC Name(4-iodophenyl)methyl sulfite
SMILESO=S([O-])OCc1ccc(I)cc1
InChIInChI=1S/C7H7IO3S/c8-7-3-1-6(2-4-7)5-11-12(9)10/h1-4H,5H2,(H,9,10)/p-1
InChIKeyVNFDWOVRDTXWMQ-UHFFFAOYSA-M
XLogP1.60
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.09
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-iodophenyl)methyl sulfite?
The IUPAC name of (4-iodophenyl)methyl sulfite (CID 174745902) is (4-iodophenyl)methyl sulfite.
What is the SMILES notation for (4-iodophenyl)methyl sulfite?
The canonical SMILES for (4-iodophenyl)methyl sulfite is O=S([O-])OCc1ccc(I)cc1.
What is the InChIKey of (4-iodophenyl)methyl sulfite?
The InChIKey is VNFDWOVRDTXWMQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7IO3S/c8-7-3-1-6(2-4-7)5-11-12(9)10/h1-4H,5H2,(H,9,10)/p-1.
What are the key properties of (4-iodophenyl)methyl sulfite?
(4-iodophenyl)methyl sulfite has a molecular weight of 297.09 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodophenyl)methyl sulfite is sourced from PubChem (CID 174745902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).