S-phenylperoxythiohydroxylamine

C6H7NO2S — CID 58723108

IUPACS-phenylperoxythiohydroxylamine
SMILESNSOOc1ccccc1
InChIInChI=1S/C6H7NO2S/c7-10-9-8-6-4-2-1-3-5-6/h1-5H,7H2
InChIKeyDWPMJSSZFNHNIE-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.52
Rot. Bonds3

About S-phenylperoxythiohydroxylamine

S-phenylperoxythiohydroxylamine (PubChem CID 58723108) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is S-phenylperoxythiohydroxylamine.

Molecular Properties

Compound NameS-phenylperoxythiohydroxylamine
PubChem CID58723108
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC NameS-phenylperoxythiohydroxylamine
SMILESNSOOc1ccccc1
InChIInChI=1S/C6H7NO2S/c7-10-9-8-6-4-2-1-3-5-6/h1-5H,7H2
InChIKeyDWPMJSSZFNHNIE-UHFFFAOYSA-N
XLogP1.52
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

azane;phenylperoxybenzene
CID 174490395
O-phenoxyhydroxylamine
CID 20645120
potassium;hydride;phenylperoxybenzene
CID 174274599
2-phenylethylsulfanylperoxybenzene
CID 59412200
phenylperoxymethanamine
CID 163956445
methylsulfanyloxysulfanyloxysulfanyloxysulfanylperoxybenzene
CID 155085614
phenoxy hypochlorite
CID 18939078
phenyl hypochlorite;titanium
CID 87675742
phenoxy hypofluorite;hydrochloride
CID 161041711
diaminophosphorylperoxybenzene
CID 172833248
S-amino 2-phenoxyprop-2-enethioate
CID 152902947
O-phenylhydroxylamine;zinc
CID 175464016

Frequently Asked Questions

What is the IUPAC name of S-phenylperoxythiohydroxylamine?
The IUPAC name of S-phenylperoxythiohydroxylamine (CID 58723108) is S-phenylperoxythiohydroxylamine.
What is the SMILES notation for S-phenylperoxythiohydroxylamine?
The canonical SMILES for S-phenylperoxythiohydroxylamine is NSOOc1ccccc1.
What is the InChIKey of S-phenylperoxythiohydroxylamine?
The InChIKey is DWPMJSSZFNHNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c7-10-9-8-6-4-2-1-3-5-6/h1-5H,7H2.
What are the key properties of S-phenylperoxythiohydroxylamine?
S-phenylperoxythiohydroxylamine has a molecular weight of 157.19 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-phenylperoxythiohydroxylamine is sourced from PubChem (CID 58723108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).