2-(2-hydroxyphenyl)benzenesulfinate

C12H9O3S- — CID 6857378

IUPAC2-(2-hydroxyphenyl)benzenesulfinate
SMILESO=S([O-])c1ccccc1-c1ccccc1O
InChIInChI=1S/C12H10O3S/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)16(14)15/h1-8,13H,(H,14,15)/p-1
InChIKeyHPKSNFTYZHYEKV-UHFFFAOYSA-M
MW233.27 g/mol
LogP2.30
Rot. Bonds2

About 2-(2-hydroxyphenyl)benzenesulfinate

2-(2-hydroxyphenyl)benzenesulfinate (PubChem CID 6857378) has the molecular formula C12H9O3S- and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)benzenesulfinate.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)benzenesulfinate
PubChem CID6857378
Molecular FormulaC12H9O3S-
Molecular Weight233.27 g/mol
Exact Mass233.03
IUPAC Name2-(2-hydroxyphenyl)benzenesulfinate
SMILESO=S([O-])c1ccccc1-c1ccccc1O
InChIInChI=1S/C12H10O3S/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)16(14)15/h1-8,13H,(H,14,15)/p-1
InChIKeyHPKSNFTYZHYEKV-UHFFFAOYSA-M
XLogP2.30
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(2-hydroxyphenyl)benzenesulfinate?
The IUPAC name of 2-(2-hydroxyphenyl)benzenesulfinate (CID 6857378) is 2-(2-hydroxyphenyl)benzenesulfinate.
What is the SMILES notation for 2-(2-hydroxyphenyl)benzenesulfinate?
The canonical SMILES for 2-(2-hydroxyphenyl)benzenesulfinate is O=S([O-])c1ccccc1-c1ccccc1O.
What is the InChIKey of 2-(2-hydroxyphenyl)benzenesulfinate?
The InChIKey is HPKSNFTYZHYEKV-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H10O3S/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)16(14)15/h1-8,13H,(H,14,15)/p-1.
What are the key properties of 2-(2-hydroxyphenyl)benzenesulfinate?
2-(2-hydroxyphenyl)benzenesulfinate has a molecular weight of 233.27 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)benzenesulfinate is sourced from PubChem (CID 6857378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).