disulfanylperoxyethane

C2H6O2S2 — CID 88942785

IUPACdisulfanylperoxyethane
SMILESCCOOSS
InChIInChI=1S/C2H6O2S2/c1-2-3-4-6-5/h5H,2H2,1H3
InChIKeyUJZZFZYVPDESGA-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.45
Rot. Bonds3

About disulfanylperoxyethane

disulfanylperoxyethane (PubChem CID 88942785) has the molecular formula C2H6O2S2 and a molecular weight of 126.20 g/mol. Its IUPAC name is disulfanylperoxyethane.

Molecular Properties

Compound Namedisulfanylperoxyethane
PubChem CID88942785
Molecular FormulaC2H6O2S2
Molecular Weight126.20 g/mol
Exact Mass125.98
IUPAC Namedisulfanylperoxyethane
SMILESCCOOSS
InChIInChI=1S/C2H6O2S2/c1-2-3-4-6-5/h5H,2H2,1H3
InChIKeyUJZZFZYVPDESGA-UHFFFAOYSA-N
XLogP1.45
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of disulfanylperoxyethane?
The IUPAC name of disulfanylperoxyethane (CID 88942785) is disulfanylperoxyethane.
What is the SMILES notation for disulfanylperoxyethane?
The canonical SMILES for disulfanylperoxyethane is CCOOSS.
What is the InChIKey of disulfanylperoxyethane?
The InChIKey is UJZZFZYVPDESGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O2S2/c1-2-3-4-6-5/h5H,2H2,1H3.
What are the key properties of disulfanylperoxyethane?
disulfanylperoxyethane has a molecular weight of 126.20 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disulfanylperoxyethane is sourced from PubChem (CID 88942785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).