methylsulfinylmethane;sulfuric acid

C2H8O5S2 — CID 22400901

IUPACmethylsulfinylmethane;sulfuric acid
SMILESCS(C)=O.O=S(=O)(O)O
InChIInChI=1S/C2H6OS.H2O4S/c1-4(2)3;1-5(2,3)4/h1-2H3;(H2,1,2,3,4)
InChIKeyQFEQMRWIROIXMW-UHFFFAOYSA-N
MW176.21 g/mol
LogP-0.66
Rot. Bonds

About methylsulfinylmethane;sulfuric acid

methylsulfinylmethane;sulfuric acid (PubChem CID 22400901) has the molecular formula C2H8O5S2 and a molecular weight of 176.21 g/mol. Its IUPAC name is methylsulfinylmethane;sulfuric acid.

Molecular Properties

Compound Namemethylsulfinylmethane;sulfuric acid
PubChem CID22400901
Molecular FormulaC2H8O5S2
Molecular Weight176.21 g/mol
Exact Mass175.98
IUPAC Namemethylsulfinylmethane;sulfuric acid
SMILESCS(C)=O.O=S(=O)(O)O
InChIInChI=1S/C2H6OS.H2O4S/c1-4(2)3;1-5(2,3)4/h1-2H3;(H2,1,2,3,4)
InChIKeyQFEQMRWIROIXMW-UHFFFAOYSA-N
XLogP-0.66
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methylsulfinylmethane;sulfuric acid?
The IUPAC name of methylsulfinylmethane;sulfuric acid (CID 22400901) is methylsulfinylmethane;sulfuric acid.
What is the SMILES notation for methylsulfinylmethane;sulfuric acid?
The canonical SMILES for methylsulfinylmethane;sulfuric acid is CS(C)=O.O=S(=O)(O)O.
What is the InChIKey of methylsulfinylmethane;sulfuric acid?
The InChIKey is QFEQMRWIROIXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6OS.H2O4S/c1-4(2)3;1-5(2,3)4/h1-2H3;(H2,1,2,3,4).
What are the key properties of methylsulfinylmethane;sulfuric acid?
methylsulfinylmethane;sulfuric acid has a molecular weight of 176.21 g/mol, XLogP of -0.66, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfinylmethane;sulfuric acid is sourced from PubChem (CID 22400901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).