hydrogen sulfite;phenol

C6H7O4S- — CID 53433159

IUPAChydrogen sulfite;phenol
SMILESO=S([O-])O.Oc1ccccc1
InChIInChI=1S/C6H6O.H2O3S/c7-6-4-2-1-3-5-6;1-4(2)3/h1-5,7H;(H2,1,2,3)/p-1
InChIKeyPQLVYRGBLFKKCN-UHFFFAOYSA-M
MW175.19 g/mol
LogP0.73
Rot. Bonds

About hydrogen sulfite;phenol

hydrogen sulfite;phenol (PubChem CID 53433159) has the molecular formula C6H7O4S- and a molecular weight of 175.19 g/mol. Its IUPAC name is hydrogen sulfite;phenol.

Molecular Properties

Compound Namehydrogen sulfite;phenol
PubChem CID53433159
Molecular FormulaC6H7O4S-
Molecular Weight175.19 g/mol
Exact Mass175.01
IUPAC Namehydrogen sulfite;phenol
SMILESO=S([O-])O.Oc1ccccc1
InChIInChI=1S/C6H6O.H2O3S/c7-6-4-2-1-3-5-6;1-4(2)3/h1-5,7H;(H2,1,2,3)/p-1
InChIKeyPQLVYRGBLFKKCN-UHFFFAOYSA-M
XLogP0.73
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

disodium;phenol;carbonate
CID 161303410
methylsulfinylmethane;phenol
CID 70282164
phenol;sulfonylzinc
CID 150803894
molecular oxygen;phenol
CID 141080591
potassium;sodium;benzene-1,4-diol;hydrogen sulfite;bromide
CID 158157386
hydrogen sulfite;phenylsilane
CID 175038327
CID 67496590
CID 67496590
neodymium;phenol
CID 154361260
phenol;phosphane
CID 159689182
molybdenum;phenol
CID 154246724
argon;phenol
CID 159678450
phenol;tantalum
CID 19915613

Frequently Asked Questions

What is the IUPAC name of hydrogen sulfite;phenol?
The IUPAC name of hydrogen sulfite;phenol (CID 53433159) is hydrogen sulfite;phenol.
What is the SMILES notation for hydrogen sulfite;phenol?
The canonical SMILES for hydrogen sulfite;phenol is O=S([O-])O.Oc1ccccc1.
What is the InChIKey of hydrogen sulfite;phenol?
The InChIKey is PQLVYRGBLFKKCN-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6O.H2O3S/c7-6-4-2-1-3-5-6;1-4(2)3/h1-5,7H;(H2,1,2,3)/p-1.
What are the key properties of hydrogen sulfite;phenol?
hydrogen sulfite;phenol has a molecular weight of 175.19 g/mol, XLogP of 0.73, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen sulfite;phenol is sourced from PubChem (CID 53433159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).