(2,5-dihydroxyphenyl)methanesulfinate

C7H7O4S- — CID 21183500

IUPAC(2,5-dihydroxyphenyl)methanesulfinate
SMILESO=S([O-])Cc1cc(O)ccc1O
InChIInChI=1S/C7H8O4S/c8-6-1-2-7(9)5(3-6)4-12(10)11/h1-3,8-9H,4H2,(H,10,11)/p-1
InChIKeyVVTFZIWTDFLBAX-UHFFFAOYSA-M
MW187.20 g/mol
LogP0.48
Rot. Bonds2

About (2,5-dihydroxyphenyl)methanesulfinate

(2,5-dihydroxyphenyl)methanesulfinate (PubChem CID 21183500) has the molecular formula C7H7O4S- and a molecular weight of 187.20 g/mol. Its IUPAC name is (2,5-dihydroxyphenyl)methanesulfinate.

Molecular Properties

Compound Name(2,5-dihydroxyphenyl)methanesulfinate
PubChem CID21183500
Molecular FormulaC7H7O4S-
Molecular Weight187.20 g/mol
Exact Mass187.01
IUPAC Name(2,5-dihydroxyphenyl)methanesulfinate
SMILESO=S([O-])Cc1cc(O)ccc1O
InChIInChI=1S/C7H8O4S/c8-6-1-2-7(9)5(3-6)4-12(10)11/h1-3,8-9H,4H2,(H,10,11)/p-1
InChIKeyVVTFZIWTDFLBAX-UHFFFAOYSA-M
XLogP0.48
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxyphenyl)methanesulfinate?
The IUPAC name of (2,5-dihydroxyphenyl)methanesulfinate (CID 21183500) is (2,5-dihydroxyphenyl)methanesulfinate.
What is the SMILES notation for (2,5-dihydroxyphenyl)methanesulfinate?
The canonical SMILES for (2,5-dihydroxyphenyl)methanesulfinate is O=S([O-])Cc1cc(O)ccc1O.
What is the InChIKey of (2,5-dihydroxyphenyl)methanesulfinate?
The InChIKey is VVTFZIWTDFLBAX-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8O4S/c8-6-1-2-7(9)5(3-6)4-12(10)11/h1-3,8-9H,4H2,(H,10,11)/p-1.
What are the key properties of (2,5-dihydroxyphenyl)methanesulfinate?
(2,5-dihydroxyphenyl)methanesulfinate has a molecular weight of 187.20 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxyphenyl)methanesulfinate is sourced from PubChem (CID 21183500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).