sodium (E)-2-phenylethenesulfinate

C8H7NaO2S — CID 23680249

IUPACsodium (E)-2-phenylethenesulfinate
SMILESO=S([O-])/C=C/c1ccccc1.[Na+]
InChIInChI=1S/C8H8O2S.Na/c9-11(10)7-6-8-4-2-1-3-5-8;/h1-7H,(H,9,10);/q;+1/p-1/b7-6+;
InChIKeyFNCLSMPNYZVYKZ-UHDJGPCESA-M
MW190.20 g/mol
LogP-1.46
Rot. Bonds2

About sodium (E)-2-phenylethenesulfinate

sodium (E)-2-phenylethenesulfinate (PubChem CID 23680249) has the molecular formula C8H7NaO2S and a molecular weight of 190.20 g/mol. Its IUPAC name is sodium (E)-2-phenylethenesulfinate.

Molecular Properties

Compound Namesodium (E)-2-phenylethenesulfinate
PubChem CID23680249
Molecular FormulaC8H7NaO2S
Molecular Weight190.20 g/mol
Exact Mass190.01
IUPAC Namesodium (E)-2-phenylethenesulfinate
SMILESO=S([O-])/C=C/c1ccccc1.[Na+]
InChIInChI=1S/C8H8O2S.Na/c9-11(10)7-6-8-4-2-1-3-5-8;/h1-7H,(H,9,10);/q;+1/p-1/b7-6+;
InChIKeyFNCLSMPNYZVYKZ-UHDJGPCESA-M
XLogP-1.46
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-1.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 sodium (E)-2-phenylethenesulfinate?
The IUPAC name of sodium (E)-2-phenylethenesulfinate (CID 23680249) is sodium (E)-2-phenylethenesulfinate.
What is the SMILES notation for sodium (E)-2-phenylethenesulfinate?
The canonical SMILES for sodium (E)-2-phenylethenesulfinate is O=S([O-])/C=C/c1ccccc1.[Na+].
What is the InChIKey of sodium (E)-2-phenylethenesulfinate?
The InChIKey is FNCLSMPNYZVYKZ-UHDJGPCESA-M. The full InChI is InChI=1S/C8H8O2S.Na/c9-11(10)7-6-8-4-2-1-3-5-8;/h1-7H,(H,9,10);/q;+1/p-1/b7-6+;.
What are the key properties of sodium (E)-2-phenylethenesulfinate?
sodium (E)-2-phenylethenesulfinate has a molecular weight of 190.20 g/mol, XLogP of -1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (E)-2-phenylethenesulfinate is sourced from PubChem (CID 23680249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).