hydrogen peroxide;methylsulfanylmethane

C2H8O2S — CID 159059771

IUPAChydrogen peroxide;methylsulfanylmethane
SMILESCSC.OO
InChIInChI=1S/C2H6S.H2O2/c1-3-2;1-2/h1-2H3;1-2H
InChIKeyJYHSJXXVNBAHBP-UHFFFAOYSA-N
MW96.15 g/mol
LogP1.00
Rot. Bonds

About hydrogen peroxide;methylsulfanylmethane

hydrogen peroxide;methylsulfanylmethane (PubChem CID 159059771) has the molecular formula C2H8O2S and a molecular weight of 96.15 g/mol. Its IUPAC name is hydrogen peroxide;methylsulfanylmethane.

Molecular Properties

Compound Namehydrogen peroxide;methylsulfanylmethane
PubChem CID159059771
Molecular FormulaC2H8O2S
Molecular Weight96.15 g/mol
Exact Mass96.02
IUPAC Namehydrogen peroxide;methylsulfanylmethane
SMILESCSC.OO
InChIInChI=1S/C2H6S.H2O2/c1-3-2;1-2/h1-2H3;1-2H
InChIKeyJYHSJXXVNBAHBP-UHFFFAOYSA-N
XLogP1.00
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.15
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydrogen peroxide;methylsulfanylmethane?
The IUPAC name of hydrogen peroxide;methylsulfanylmethane (CID 159059771) is hydrogen peroxide;methylsulfanylmethane.
What is the SMILES notation for hydrogen peroxide;methylsulfanylmethane?
The canonical SMILES for hydrogen peroxide;methylsulfanylmethane is CSC.OO.
What is the InChIKey of hydrogen peroxide;methylsulfanylmethane?
The InChIKey is JYHSJXXVNBAHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6S.H2O2/c1-3-2;1-2/h1-2H3;1-2H.
What are the key properties of hydrogen peroxide;methylsulfanylmethane?
hydrogen peroxide;methylsulfanylmethane has a molecular weight of 96.15 g/mol, XLogP of 1.00, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen peroxide;methylsulfanylmethane is sourced from PubChem (CID 159059771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).