methyl hydrogen sulfate;oxalic acid

C3H6O8S — CID 88784416

IUPACmethyl hydrogen sulfate;oxalic acid
SMILESCOS(=O)(=O)O.O=C(O)C(=O)O
InChIInChI=1S/C2H2O4.CH4O4S/c3-1(4)2(5)6;1-5-6(2,3)4/h(H,3,4)(H,5,6);1H3,(H,2,3,4)
InChIKeyFXQFZJYZSQUZEJ-UHFFFAOYSA-N
MW202.14 g/mol
LogP-1.41
Rot. Bonds1

About methyl hydrogen sulfate;oxalic acid

methyl hydrogen sulfate;oxalic acid (PubChem CID 88784416) has the molecular formula C3H6O8S and a molecular weight of 202.14 g/mol. Its IUPAC name is methyl hydrogen sulfate;oxalic acid.

Molecular Properties

Compound Namemethyl hydrogen sulfate;oxalic acid
PubChem CID88784416
Molecular FormulaC3H6O8S
Molecular Weight202.14 g/mol
Exact Mass201.98
IUPAC Namemethyl hydrogen sulfate;oxalic acid
SMILESCOS(=O)(=O)O.O=C(O)C(=O)O
InChIInChI=1S/C2H2O4.CH4O4S/c3-1(4)2(5)6;1-5-6(2,3)4/h(H,3,4)(H,5,6);1H3,(H,2,3,4)
InChIKeyFXQFZJYZSQUZEJ-UHFFFAOYSA-N
XLogP-1.41
TPSA138.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.14
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

methyl hydrogen sulfate;hydrobromide
CID 87338714
copper;methyl hydrogen sulfate
CID 175275891
methyl hydrogen sulfate;2,2,2-trifluoroacetic acid
CID 172730808
azane;ethene;methyl hydrogen sulfate
CID 175445348
methyl hydrogen sulfate;oxalonitrile
CID 161128067
carbonic acid;oxalic acid;sulfuric acid
CID 159893753
methyl hydrogen carbonate;sulfuric acid
CID 172863213
methyl hydrogen sulfate;pyridin-1-ium;hydroxide
CID 172757118
methyl hydrogen sulfate;bis(pyridine);hydroiodide
CID 174832701
methyl hydrogen sulfate;phenol
CID 174688864
strontium;hydride;oxalic acid;sulfuric acid
CID 173409846
N-ethylethanamine;methyl hydrogen sulfate
CID 88690329

Frequently Asked Questions

What is the IUPAC name of methyl hydrogen sulfate;oxalic acid?
The IUPAC name of methyl hydrogen sulfate;oxalic acid (CID 88784416) is methyl hydrogen sulfate;oxalic acid.
What is the SMILES notation for methyl hydrogen sulfate;oxalic acid?
The canonical SMILES for methyl hydrogen sulfate;oxalic acid is COS(=O)(=O)O.O=C(O)C(=O)O.
What is the InChIKey of methyl hydrogen sulfate;oxalic acid?
The InChIKey is FXQFZJYZSQUZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O4.CH4O4S/c3-1(4)2(5)6;1-5-6(2,3)4/h(H,3,4)(H,5,6);1H3,(H,2,3,4).
What are the key properties of methyl hydrogen sulfate;oxalic acid?
methyl hydrogen sulfate;oxalic acid has a molecular weight of 202.14 g/mol, XLogP of -1.41, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl hydrogen sulfate;oxalic acid is sourced from PubChem (CID 88784416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).