sulfanylperoxycyclopropane

C3H6O2S — CID 89308630

IUPACsulfanylperoxycyclopropane
SMILESSOOC1CC1
InChIInChI=1S/C3H6O2S/c6-5-4-3-1-2-3/h3,6H,1-2H2
InChIKeyYHAKWHXEOGJECV-UHFFFAOYSA-N
MW106.15 g/mol
LogP0.94
Rot. Bonds2

About sulfanylperoxycyclopropane

sulfanylperoxycyclopropane (PubChem CID 89308630) has the molecular formula C3H6O2S and a molecular weight of 106.15 g/mol. Its IUPAC name is sulfanylperoxycyclopropane.

Molecular Properties

Compound Namesulfanylperoxycyclopropane
PubChem CID89308630
Molecular FormulaC3H6O2S
Molecular Weight106.15 g/mol
Exact Mass106.01
IUPAC Namesulfanylperoxycyclopropane
SMILESSOOC1CC1
InChIInChI=1S/C3H6O2S/c6-5-4-3-1-2-3/h3,6H,1-2H2
InChIKeyYHAKWHXEOGJECV-UHFFFAOYSA-N
XLogP0.94
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.15
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Cyclopropyl sulfite
CID 57041624
Sodium cyclopropyl sulfite
CID 59034271
Potassium cyclopropyl sulfite
CID 59034272
Trioxidanylperoxyperoxycyclopropane
CID 87431809
Hydroperoxyperoxycyclopropane
CID 88543555
Hydroperoxycyclopropane
CID 91425241
Sulfanyloxycyclopropane
CID 173502387
CID 101026822
CID 101026822
CID 102291189
CID 102291189

Frequently Asked Questions

What is the IUPAC name of sulfanylperoxycyclopropane?
The IUPAC name of sulfanylperoxycyclopropane (CID 89308630) is sulfanylperoxycyclopropane.
What is the SMILES notation for sulfanylperoxycyclopropane?
The canonical SMILES for sulfanylperoxycyclopropane is SOOC1CC1.
What is the InChIKey of sulfanylperoxycyclopropane?
The InChIKey is YHAKWHXEOGJECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2S/c6-5-4-3-1-2-3/h3,6H,1-2H2.
What are the key properties of sulfanylperoxycyclopropane?
sulfanylperoxycyclopropane has a molecular weight of 106.15 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sulfanylperoxycyclopropane is sourced from PubChem (CID 89308630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).