hydroperoxysulfanylcyclopentane

C5H10O2S — CID 163690413

IUPAChydroperoxysulfanylcyclopentane
SMILESOOSC1CCCC1
InChIInChI=1S/C5H10O2S/c6-7-8-5-3-1-2-4-5/h5-6H,1-4H2
InChIKeyJSMYLUMRZNTARN-UHFFFAOYSA-N
MW134.20 g/mol
LogP2.07
Rot. Bonds2

About hydroperoxysulfanylcyclopentane

hydroperoxysulfanylcyclopentane (PubChem CID 163690413) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is hydroperoxysulfanylcyclopentane.

Molecular Properties

Compound Namehydroperoxysulfanylcyclopentane
PubChem CID163690413
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC Namehydroperoxysulfanylcyclopentane
SMILESOOSC1CCCC1
InChIInChI=1S/C5H10O2S/c6-7-8-5-3-1-2-4-5/h5-6H,1-4H2
InChIKeyJSMYLUMRZNTARN-UHFFFAOYSA-N
XLogP2.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 52.07
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

hydroperoxysulfanylcyclopropane
CID 118101237
hydroxysulfanylcyclohexane;hydrochloride
CID 70408617
1,2-bis(cyclohexylsulfanyl)ethene-1,2-dithiol
CID 76563943
cyclohexane;hydroperoxycyclohexane
CID 88671084
disulfanylcyclododecane
CID 87475322
cyclohexyl thiohypochlorite
CID 174496435
(cyclohexyltrisulfanyl)cyclohexane
CID 86176414
(cyclohexyldisulfanyl) dihydrogen phosphite
CID 87475230
cyclohexylsulfanylformic acid
CID 57292109
2-(cyclohexylsulfanyloxyamino)-2-cyclopentylideneacetonitrile
CID 91279581
dicyclohexyl [cyclohexyloxy(cyclohexylsulfanyloxy)phosphoryl] phosphate
CID 88808030
cyclohexylsulfanylphosphonic acid
CID 19374027

Frequently Asked Questions

What is the IUPAC name of hydroperoxysulfanylcyclopentane?
The IUPAC name of hydroperoxysulfanylcyclopentane (CID 163690413) is hydroperoxysulfanylcyclopentane.
What is the SMILES notation for hydroperoxysulfanylcyclopentane?
The canonical SMILES for hydroperoxysulfanylcyclopentane is OOSC1CCCC1.
What is the InChIKey of hydroperoxysulfanylcyclopentane?
The InChIKey is JSMYLUMRZNTARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S/c6-7-8-5-3-1-2-4-5/h5-6H,1-4H2.
What are the key properties of hydroperoxysulfanylcyclopentane?
hydroperoxysulfanylcyclopentane has a molecular weight of 134.20 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroperoxysulfanylcyclopentane is sourced from PubChem (CID 163690413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).