benzenecarboperoxoic acid;thiophene

C11H10O3S — CID 174655915

IUPACbenzenecarboperoxoic acid;thiophene
SMILESO=C(OO)c1ccccc1.c1ccsc1
InChIInChI=1S/C7H6O3.C4H4S/c8-7(10-9)6-4-2-1-3-5-6;1-2-4-5-3-1/h1-5,9H;1-4H
InChIKeyCBVOCUYJCLIERZ-UHFFFAOYSA-N
MW222.27 g/mol
LogP3.06
Rot. Bonds1

About benzenecarboperoxoic acid;thiophene

benzenecarboperoxoic acid;thiophene (PubChem CID 174655915) has the molecular formula C11H10O3S and a molecular weight of 222.27 g/mol. Its IUPAC name is benzenecarboperoxoic acid;thiophene.

Molecular Properties

Compound Namebenzenecarboperoxoic acid;thiophene
PubChem CID174655915
Molecular FormulaC11H10O3S
Molecular Weight222.27 g/mol
Exact Mass222.04
IUPAC Namebenzenecarboperoxoic acid;thiophene
SMILESO=C(OO)c1ccccc1.c1ccsc1
InChIInChI=1S/C7H6O3.C4H4S/c8-7(10-9)6-4-2-1-3-5-6;1-2-4-5-3-1/h1-5,9H;1-4H
InChIKeyCBVOCUYJCLIERZ-UHFFFAOYSA-N
XLogP3.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 53.06
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'}

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Related Compounds

chloro benzoate;thiophene
CID 175145000
magnesium;benzenecarboperoxoic acid;hydride;hexahydrate
CID 174404626
benzenecarboperoxoic acid;benzoyl benzenecarboperoxoate
CID 87835991
benzenecarboperoxoic acid;propane
CID 87106834
benzamide;thiophene
CID 67043300
benzenecarboperoxoic acid;tert-butyl benzenecarboperoxoate
CID 87085937
azane;4-carbonoperoxoylbenzoic acid
CID 175182628
CID 19766641
CID 19766641
argon;benzoyl benzenecarboperoxoate
CID 161437596
benzoyl benzenecarboperoxoate;hydron
CID 20524010
phenyl acetate;thiophene
CID 174909325
benzenecarboperoxoic acid;butyl benzenecarboperoxoate
CID 87774201

Frequently Asked Questions

What is the IUPAC name of benzenecarboperoxoic acid;thiophene?
The IUPAC name of benzenecarboperoxoic acid;thiophene (CID 174655915) is benzenecarboperoxoic acid;thiophene.
What is the SMILES notation for benzenecarboperoxoic acid;thiophene?
The canonical SMILES for benzenecarboperoxoic acid;thiophene is O=C(OO)c1ccccc1.c1ccsc1.
What is the InChIKey of benzenecarboperoxoic acid;thiophene?
The InChIKey is CBVOCUYJCLIERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.C4H4S/c8-7(10-9)6-4-2-1-3-5-6;1-2-4-5-3-1/h1-5,9H;1-4H.
What are the key properties of benzenecarboperoxoic acid;thiophene?
benzenecarboperoxoic acid;thiophene has a molecular weight of 222.27 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzenecarboperoxoic acid;thiophene is sourced from PubChem (CID 174655915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).