hydrogen peroxide;methylsulfinylmethane

C4H14O4S2 — CID 175320935

IUPAChydrogen peroxide;methylsulfinylmethane
SMILESCS(C)=O.CS(C)=O.OO
InChIInChI=1S/2C2H6OS.H2O2/c2*1-4(2)3;1-2/h2*1-2H3;1-2H
InChIKeyFWPSUFFQAVPSMC-UHFFFAOYSA-N
MW190.29 g/mol
LogP0.01
Rot. Bonds

About hydrogen peroxide;methylsulfinylmethane

hydrogen peroxide;methylsulfinylmethane (PubChem CID 175320935) has the molecular formula C4H14O4S2 and a molecular weight of 190.29 g/mol. Its IUPAC name is hydrogen peroxide;methylsulfinylmethane.

Molecular Properties

Compound Namehydrogen peroxide;methylsulfinylmethane
PubChem CID175320935
Molecular FormulaC4H14O4S2
Molecular Weight190.29 g/mol
Exact Mass190.03
IUPAC Namehydrogen peroxide;methylsulfinylmethane
SMILESCS(C)=O.CS(C)=O.OO
InChIInChI=1S/2C2H6OS.H2O2/c2*1-4(2)3;1-2/h2*1-2H3;1-2H
InChIKeyFWPSUFFQAVPSMC-UHFFFAOYSA-N
XLogP0.01
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

methylsulfinylmethane
CID 21183497
potassium;carbonic acid;hydride;methylsulfinylmethane
CID 174796839
acetic acid;methanol;methylsulfinylmethane
CID 88618102
potassium methylsulfinylmethane
CID 22410893
dipotassium;hydrogen peroxide;methylsulfinylmethane;carbonate
CID 158046491
dibromoruthenium;methylsulfinylmethane
CID 15792891
methylsulfinylmethane;rhodium(3+);trichloride
CID 172999990
methylsulfinylmethane;molecular hydrogen
CID 20504873
methylsulfinylformic acid
CID 57268856
ethane-1,2-diol;methylsulfinylmethane
CID 18757553
methylsulfinylmethane;permanganic acid
CID 174586710
guanidine;methylsulfinylmethane
CID 155669575

Frequently Asked Questions

What is the IUPAC name of hydrogen peroxide;methylsulfinylmethane?
The IUPAC name of hydrogen peroxide;methylsulfinylmethane (CID 175320935) is hydrogen peroxide;methylsulfinylmethane.
What is the SMILES notation for hydrogen peroxide;methylsulfinylmethane?
The canonical SMILES for hydrogen peroxide;methylsulfinylmethane is CS(C)=O.CS(C)=O.OO.
What is the InChIKey of hydrogen peroxide;methylsulfinylmethane?
The InChIKey is FWPSUFFQAVPSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H6OS.H2O2/c2*1-4(2)3;1-2/h2*1-2H3;1-2H.
What are the key properties of hydrogen peroxide;methylsulfinylmethane?
hydrogen peroxide;methylsulfinylmethane has a molecular weight of 190.29 g/mol, XLogP of 0.01, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen peroxide;methylsulfinylmethane is sourced from PubChem (CID 175320935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).