hydroperoxysulfanylcyclopropane

C3H6O2S — CID 118101237

IUPAChydroperoxysulfanylcyclopropane
SMILESOOSC1CC1
InChIInChI=1S/C3H6O2S/c4-5-6-3-1-2-3/h3-4H,1-2H2
InChIKeyDIHYMRYOUFGBMZ-UHFFFAOYSA-N
MW106.15 g/mol
LogP1.29
Rot. Bonds2

About hydroperoxysulfanylcyclopropane

hydroperoxysulfanylcyclopropane (PubChem CID 118101237) has the molecular formula C3H6O2S and a molecular weight of 106.15 g/mol. Its IUPAC name is hydroperoxysulfanylcyclopropane.

Molecular Properties

Compound Namehydroperoxysulfanylcyclopropane
PubChem CID118101237
Molecular FormulaC3H6O2S
Molecular Weight106.15 g/mol
Exact Mass106.01
IUPAC Namehydroperoxysulfanylcyclopropane
SMILESOOSC1CC1
InChIInChI=1S/C3H6O2S/c4-5-6-3-1-2-3/h3-4H,1-2H2
InChIKeyDIHYMRYOUFGBMZ-UHFFFAOYSA-N
XLogP1.29
TPSA29.46 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 ≤ 51.29
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'}

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Related Compounds

hydroperoxysulfanylcyclopentane
CID 163690413
methylsulfanylcyclopropane
CID 12678402
cyclopropyl thiohypoiodite
CID 126554141
1-methoxysulfanyl-3-methylsulfanylcyclopentane
CID 166788380
1-(disulfanyl)-4-fluorocyclohexane
CID 87424436
3-(trioxidanylsulfanyl)cyclohexane-1-sulfonic acid
CID 140535466
(4-hydroxysulfanylcyclohexyl)methanediol
CID 155130646
1-cyclobutyl-N-(cyclobutylmethyl)methanamine
CID 54206114
cyclohexane;hydroperoxycyclohexane
CID 88671084
2-(cyclohexylsulfanyloxyamino)-2-cyclopentylideneacetonitrile
CID 91279581
cyclopropyl 2,3-dimethylbut-2-enedithioate
CID 15178435
S-(4-hydroxycyclohexyl) ethanethioate
CID 97349473

Frequently Asked Questions

What is the IUPAC name of hydroperoxysulfanylcyclopropane?
The IUPAC name of hydroperoxysulfanylcyclopropane (CID 118101237) is hydroperoxysulfanylcyclopropane.
What is the SMILES notation for hydroperoxysulfanylcyclopropane?
The canonical SMILES for hydroperoxysulfanylcyclopropane is OOSC1CC1.
What is the InChIKey of hydroperoxysulfanylcyclopropane?
The InChIKey is DIHYMRYOUFGBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2S/c4-5-6-3-1-2-3/h3-4H,1-2H2.
What are the key properties of hydroperoxysulfanylcyclopropane?
hydroperoxysulfanylcyclopropane has a molecular weight of 106.15 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroperoxysulfanylcyclopropane is sourced from PubChem (CID 118101237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).