hydroperoxysulfanylmethylbenzene

C7H8O2S — CID 12561082

IUPAChydroperoxysulfanylmethylbenzene
SMILESOOSCc1ccccc1
InChIInChI=1S/C7H8O2S/c8-9-10-6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyGZQZPOKMNXQAGU-UHFFFAOYSA-N
MW156.21 g/mol
LogP2.32
Rot. Bonds3

About hydroperoxysulfanylmethylbenzene

hydroperoxysulfanylmethylbenzene (PubChem CID 12561082) has the molecular formula C7H8O2S and a molecular weight of 156.21 g/mol. Its IUPAC name is hydroperoxysulfanylmethylbenzene.

Molecular Properties

Compound Namehydroperoxysulfanylmethylbenzene
PubChem CID12561082
Molecular FormulaC7H8O2S
Molecular Weight156.21 g/mol
Exact Mass156.02
IUPAC Namehydroperoxysulfanylmethylbenzene
SMILESOOSCc1ccccc1
InChIInChI=1S/C7H8O2S/c8-9-10-6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyGZQZPOKMNXQAGU-UHFFFAOYSA-N
XLogP2.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 52.32
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

benzylsulfanyloxybenzene
CID 154119819
ethane;hydroxysulfanylmethylbenzene
CID 143821204
S-benzylthiohydroxylamine
CID 14664407
benzyl thiohypochlorite
CID 11332618
(benzyldisulfanyl)methylbenzene;carbamic acid
CID 159723781
benzylsulfanylmethylbenzene;1,1'-biphenyl
CID 66703910
1-(ethoxysulfanylmethyl)-4-phenylbenzene
CID 129231855
1-fluoroethenylsulfanylmethylbenzene
CID 10877515
benzylsulfanyl-bromo-dimethylstannane
CID 71443949
(benzyltetrasulfanyl)methylbenzene;ethane
CID 143979084
3-benzylsulfanylpropylsulfanylmethylbenzene
CID 13214429
ethane;methane;methylsulfanylmethylbenzene
CID 161395103

Frequently Asked Questions

What is the IUPAC name of hydroperoxysulfanylmethylbenzene?
The IUPAC name of hydroperoxysulfanylmethylbenzene (CID 12561082) is hydroperoxysulfanylmethylbenzene.
What is the SMILES notation for hydroperoxysulfanylmethylbenzene?
The canonical SMILES for hydroperoxysulfanylmethylbenzene is OOSCc1ccccc1.
What is the InChIKey of hydroperoxysulfanylmethylbenzene?
The InChIKey is GZQZPOKMNXQAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2S/c8-9-10-6-7-4-2-1-3-5-7/h1-5,8H,6H2.
What are the key properties of hydroperoxysulfanylmethylbenzene?
hydroperoxysulfanylmethylbenzene has a molecular weight of 156.21 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroperoxysulfanylmethylbenzene is sourced from PubChem (CID 12561082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).