methylsulfanyloxysulfanyloxysulfanyloxysulfanylperoxybenzene

C7H8O5S4 — CID 155085614

IUPACmethylsulfanyloxysulfanyloxysulfanyloxysulfanylperoxybenzene
SMILESCSOSOSOSOOc1ccccc1
InChIInChI=1S/C7H8O5S4/c1-13-10-15-12-16-11-14-9-8-7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyNUCDBDHLESLJSL-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.01
Rot. Bonds9

About methylsulfanyloxysulfanyloxysulfanyloxysulfanylperoxybenzene

methylsulfanyloxysulfanyloxysulfanyloxysulfanylperoxybenzene (PubChem CID 155085614) has the molecular formula C7H8O5S4 and a molecular weight of 300.40 g/mol. Its IUPAC name is methylsulfanyloxysulfanyloxysulfanyloxysulfanylperoxybenzene.

Molecular Properties

Compound Namemethylsulfanyloxysulfanyloxysulfanyloxysulfanylperoxybenzene
PubChem CID155085614
Molecular FormulaC7H8O5S4
Molecular Weight300.40 g/mol
Exact Mass299.93
IUPAC Namemethylsulfanyloxysulfanyloxysulfanyloxysulfanylperoxybenzene
SMILESCSOSOSOSOOc1ccccc1
InChIInChI=1S/C7H8O5S4/c1-13-10-15-12-16-11-14-9-8-7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyNUCDBDHLESLJSL-UHFFFAOYSA-N
XLogP4.01
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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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Related Compounds

S-phenylperoxythiohydroxylamine
CID 58723108
azane;phenylperoxybenzene
CID 174490395
chlorobenzene;methylsulfanyloxysulfanylmethane
CID 175343732
potassium;hydride;phenylperoxybenzene
CID 174274599
2-phenylethylsulfanylperoxybenzene
CID 59412200
phenoxy hypochlorite
CID 18939078
O-phenoxyhydroxylamine
CID 20645120
methyl(phenoxysulfanyl)phosphane
CID 141436793
phenyl hypochlorite;titanium
CID 87675742
phenoxy hypofluorite;hydrochloride
CID 161041711
methylsulfanyl phenyl hydrogen phosphite
CID 175099575
methoxymethylperoxybenzene
CID 89305996

Frequently Asked Questions

What is the IUPAC name of methylsulfanyloxysulfanyloxysulfanyloxysulfanylperoxybenzene?
The IUPAC name of methylsulfanyloxysulfanyloxysulfanyloxysulfanylperoxybenzene (CID 155085614) is methylsulfanyloxysulfanyloxysulfanyloxysulfanylperoxybenzene.
What is the SMILES notation for methylsulfanyloxysulfanyloxysulfanyloxysulfanylperoxybenzene?
The canonical SMILES for methylsulfanyloxysulfanyloxysulfanyloxysulfanylperoxybenzene is CSOSOSOSOOc1ccccc1.
What is the InChIKey of methylsulfanyloxysulfanyloxysulfanyloxysulfanylperoxybenzene?
The InChIKey is NUCDBDHLESLJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O5S4/c1-13-10-15-12-16-11-14-9-8-7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of methylsulfanyloxysulfanyloxysulfanyloxysulfanylperoxybenzene?
methylsulfanyloxysulfanyloxysulfanyloxysulfanylperoxybenzene has a molecular weight of 300.40 g/mol, XLogP of 4.01, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanyloxysulfanyloxysulfanyloxysulfanylperoxybenzene is sourced from PubChem (CID 155085614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).