(Z)-2-(2-hydroxyphenyl)ethenesulfinate

C8H7O3S- — CID 44665691

IUPAC(Z)-2-(2-hydroxyphenyl)ethenesulfinate
SMILESO=S([O-])/C=C\c1ccccc1O
InChIInChI=1S/C8H8O3S/c9-8-4-2-1-3-7(8)5-6-12(10)11/h1-6,9H,(H,10,11)/p-1/b6-5-
InChIKeyIJVNQCIZZWCNEY-WAYWQWQTSA-M
MW183.21 g/mol
LogP1.24
Rot. Bonds2

About (Z)-2-(2-hydroxyphenyl)ethenesulfinate

(Z)-2-(2-hydroxyphenyl)ethenesulfinate (PubChem CID 44665691) has the molecular formula C8H7O3S- and a molecular weight of 183.21 g/mol. Its IUPAC name is (Z)-2-(2-hydroxyphenyl)ethenesulfinate.

Molecular Properties

Compound Name(Z)-2-(2-hydroxyphenyl)ethenesulfinate
PubChem CID44665691
Molecular FormulaC8H7O3S-
Molecular Weight183.21 g/mol
Exact Mass183.01
IUPAC Name(Z)-2-(2-hydroxyphenyl)ethenesulfinate
SMILESO=S([O-])/C=C\c1ccccc1O
InChIInChI=1S/C8H8O3S/c9-8-4-2-1-3-7(8)5-6-12(10)11/h1-6,9H,(H,10,11)/p-1/b6-5-
InChIKeyIJVNQCIZZWCNEY-WAYWQWQTSA-M
XLogP1.24
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-2-(2-hydroxyphenyl)ethenesulfinate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2-hydroxyphenyl)ethenesulfinate?
The IUPAC name of (Z)-2-(2-hydroxyphenyl)ethenesulfinate (CID 44665691) is (Z)-2-(2-hydroxyphenyl)ethenesulfinate.
What is the SMILES notation for (Z)-2-(2-hydroxyphenyl)ethenesulfinate?
The canonical SMILES for (Z)-2-(2-hydroxyphenyl)ethenesulfinate is O=S([O-])/C=C\c1ccccc1O.
What is the InChIKey of (Z)-2-(2-hydroxyphenyl)ethenesulfinate?
The InChIKey is IJVNQCIZZWCNEY-WAYWQWQTSA-M. The full InChI is InChI=1S/C8H8O3S/c9-8-4-2-1-3-7(8)5-6-12(10)11/h1-6,9H,(H,10,11)/p-1/b6-5-.
What are the key properties of (Z)-2-(2-hydroxyphenyl)ethenesulfinate?
(Z)-2-(2-hydroxyphenyl)ethenesulfinate has a molecular weight of 183.21 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2-hydroxyphenyl)ethenesulfinate is sourced from PubChem (CID 44665691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).