4-hydroperoxy-2-phenylthiophene

C10H8O2S — CID 173226773

IUPAC4-hydroperoxy-2-phenylthiophene
SMILESOOc1csc(-c2ccccc2)c1
InChIInChI=1S/C10H8O2S/c11-12-9-6-10(13-7-9)8-4-2-1-3-5-8/h1-7,11H
InChIKeyKEGLAKMBXJTARV-UHFFFAOYSA-N
MW192.24 g/mol
LogP3.27
Rot. Bonds2

About 4-hydroperoxy-2-phenylthiophene

4-hydroperoxy-2-phenylthiophene (PubChem CID 173226773) has the molecular formula C10H8O2S and a molecular weight of 192.24 g/mol. Its IUPAC name is 4-hydroperoxy-2-phenylthiophene.

Molecular Properties

Compound Name4-hydroperoxy-2-phenylthiophene
PubChem CID173226773
Molecular FormulaC10H8O2S
Molecular Weight192.24 g/mol
Exact Mass192.02
IUPAC Name4-hydroperoxy-2-phenylthiophene
SMILESOOc1csc(-c2ccccc2)c1
InChIInChI=1S/C10H8O2S/c11-12-9-6-10(13-7-9)8-4-2-1-3-5-8/h1-7,11H
InChIKeyKEGLAKMBXJTARV-UHFFFAOYSA-N
XLogP3.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 53.27
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroperoxy-2-phenylthiophene?
The IUPAC name of 4-hydroperoxy-2-phenylthiophene (CID 173226773) is 4-hydroperoxy-2-phenylthiophene.
What is the SMILES notation for 4-hydroperoxy-2-phenylthiophene?
The canonical SMILES for 4-hydroperoxy-2-phenylthiophene is OOc1csc(-c2ccccc2)c1.
What is the InChIKey of 4-hydroperoxy-2-phenylthiophene?
The InChIKey is KEGLAKMBXJTARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2S/c11-12-9-6-10(13-7-9)8-4-2-1-3-5-8/h1-7,11H.
What are the key properties of 4-hydroperoxy-2-phenylthiophene?
4-hydroperoxy-2-phenylthiophene has a molecular weight of 192.24 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroperoxy-2-phenylthiophene is sourced from PubChem (CID 173226773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).