phenyl thiophene-2-carboperoxoate

C11H8O3S — CID 91186228

IUPACphenyl thiophene-2-carboperoxoate
SMILESO=C(OOc1ccccc1)c1cccs1
InChIInChI=1S/C11H8O3S/c12-11(10-7-4-8-15-10)14-13-9-5-2-1-3-6-9/h1-8H
InChIKeyIJCUNSLICJVTFS-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.90
Rot. Bonds3

About phenyl thiophene-2-carboperoxoate

phenyl thiophene-2-carboperoxoate (PubChem CID 91186228) has the molecular formula C11H8O3S and a molecular weight of 220.25 g/mol. Its IUPAC name is phenyl thiophene-2-carboperoxoate.

Molecular Properties

Compound Namephenyl thiophene-2-carboperoxoate
PubChem CID91186228
Molecular FormulaC11H8O3S
Molecular Weight220.25 g/mol
Exact Mass220.02
IUPAC Namephenyl thiophene-2-carboperoxoate
SMILESO=C(OOc1ccccc1)c1cccs1
InChIInChI=1S/C11H8O3S/c12-11(10-7-4-8-15-10)14-13-9-5-2-1-3-6-9/h1-8H
InChIKeyIJCUNSLICJVTFS-UHFFFAOYSA-N
XLogP2.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

[4-(thiophene-2-carbonyloxy)phenyl] thiophene-2-carboxylate
CID 811680
benzoyl thiophene-2-carboxylate
CID 174319053
aminomethyl thiophene-2-carboxylate
CID 142796710
[1,2-diphenyl-2-(thiophene-2-carbonyloxy)ethenyl] thiophene-2-carboxylate
CID 140844707
(3-hydroxyphenyl) thiophene-2-carboxylate
CID 91704925
diphenylphosphanyl thiophene-2-carboxylate
CID 150820036
(4-fluorophenyl) thiophene-2-carboxylate
CID 573740
(2-oxo-1-phenylpropyl) thiophene-2-carboxylate
CID 134968020
(2-chloro-1-phenoxyprop-2-enyl) thiophene-2-carboxylate
CID 164853027
[(1S)-2-oxo-1,2-diphenylethyl] thiophene-2-carboxylate
CID 849635
(3-ethynylphenyl) thiophene-2-carboxylate
CID 91802014
formyl thiophene-2-carboxylate
CID 22645353

Frequently Asked Questions

What is the IUPAC name of phenyl thiophene-2-carboperoxoate?
The IUPAC name of phenyl thiophene-2-carboperoxoate (CID 91186228) is phenyl thiophene-2-carboperoxoate.
What is the SMILES notation for phenyl thiophene-2-carboperoxoate?
The canonical SMILES for phenyl thiophene-2-carboperoxoate is O=C(OOc1ccccc1)c1cccs1.
What is the InChIKey of phenyl thiophene-2-carboperoxoate?
The InChIKey is IJCUNSLICJVTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O3S/c12-11(10-7-4-8-15-10)14-13-9-5-2-1-3-6-9/h1-8H.
What are the key properties of phenyl thiophene-2-carboperoxoate?
phenyl thiophene-2-carboperoxoate has a molecular weight of 220.25 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl thiophene-2-carboperoxoate is sourced from PubChem (CID 91186228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).