2,2-dihydroxy-2-sulfinoacetic acid

C2H4O6S — CID 87478957

IUPAC2,2-dihydroxy-2-sulfinoacetic acid
SMILESO=C(O)C(O)(O)S(=O)O
InChIInChI=1S/C2H4O6S/c3-1(4)2(5,6)9(7)8/h5-6H,(H,3,4)(H,7,8)
InChIKeyHICKIZQFNWTJOE-UHFFFAOYSA-N
MW156.11 g/mol
LogP-2.07
Rot. Bonds2

About 2,2-dihydroxy-2-sulfinoacetic acid

2,2-dihydroxy-2-sulfinoacetic acid (PubChem CID 87478957) has the molecular formula C2H4O6S and a molecular weight of 156.11 g/mol. Its IUPAC name is 2,2-dihydroxy-2-sulfinoacetic acid.

Molecular Properties

Compound Name2,2-dihydroxy-2-sulfinoacetic acid
PubChem CID87478957
Molecular FormulaC2H4O6S
Molecular Weight156.11 g/mol
Exact Mass155.97
IUPAC Name2,2-dihydroxy-2-sulfinoacetic acid
SMILESO=C(O)C(O)(O)S(=O)O
InChIInChI=1S/C2H4O6S/c3-1(4)2(5,6)9(7)8/h5-6H,(H,3,4)(H,7,8)
InChIKeyHICKIZQFNWTJOE-UHFFFAOYSA-N
XLogP-2.07
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.11
LogP ≤ 5-2.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

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2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid
CID 71309334
2,2-dihydroxy-2-phosphanylacetic acid
CID 174853171
carbonic acid;ruthenium
CID 87059075
sodium;2,2-dihydroxypropanedioic acid;hydride
CID 3084548
2,2-difluoro-3-methylsulfinylpropanoic acid
CID 165467565
(E)-2-hydroxy-5-methoxy-5-oxopent-3-ene-2-sulfinic acid
CID 87186287
3-hydroxy-2,2,3,4,4-pentamethylpentanoic acid
CID 105443227
2-hydroxy-2-methylsulfinylbutanedioic acid
CID 88801064
2-hydroxyacetic acid;sulfurous acid
CID 87280138
2-bromo-2-hydroxypropanoic acid
CID 88707429

Frequently Asked Questions

What is the IUPAC name of 2,2-dihydroxy-2-sulfinoacetic acid?
The IUPAC name of 2,2-dihydroxy-2-sulfinoacetic acid (CID 87478957) is 2,2-dihydroxy-2-sulfinoacetic acid.
What is the SMILES notation for 2,2-dihydroxy-2-sulfinoacetic acid?
The canonical SMILES for 2,2-dihydroxy-2-sulfinoacetic acid is O=C(O)C(O)(O)S(=O)O.
What is the InChIKey of 2,2-dihydroxy-2-sulfinoacetic acid?
The InChIKey is HICKIZQFNWTJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O6S/c3-1(4)2(5,6)9(7)8/h5-6H,(H,3,4)(H,7,8).
What are the key properties of 2,2-dihydroxy-2-sulfinoacetic acid?
2,2-dihydroxy-2-sulfinoacetic acid has a molecular weight of 156.11 g/mol, XLogP of -2.07, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dihydroxy-2-sulfinoacetic acid is sourced from PubChem (CID 87478957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).