3-tert-butylsulfanylperoxythiophene

C8H12O2S2 — CID 58245473

IUPAC3-tert-butylsulfanylperoxythiophene
SMILESCC(C)(C)SOOc1ccsc1
InChIInChI=1S/C8H12O2S2/c1-8(2,3)12-10-9-7-4-5-11-6-7/h4-6H,1-3H3
InChIKeyQONBGEMHKNIHMG-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.51
Rot. Bonds3

About 3-tert-butylsulfanylperoxythiophene

3-tert-butylsulfanylperoxythiophene (PubChem CID 58245473) has the molecular formula C8H12O2S2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 3-tert-butylsulfanylperoxythiophene.

Molecular Properties

Compound Name3-tert-butylsulfanylperoxythiophene
PubChem CID58245473
Molecular FormulaC8H12O2S2
Molecular Weight204.32 g/mol
Exact Mass204.03
IUPAC Name3-tert-butylsulfanylperoxythiophene
SMILESCC(C)(C)SOOc1ccsc1
InChIInChI=1S/C8H12O2S2/c1-8(2,3)12-10-9-7-4-5-11-6-7/h4-6H,1-3H3
InChIKeyQONBGEMHKNIHMG-UHFFFAOYSA-N
XLogP3.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.51
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'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butylsulfanylperoxythiophene?
The IUPAC name of 3-tert-butylsulfanylperoxythiophene (CID 58245473) is 3-tert-butylsulfanylperoxythiophene.
What is the SMILES notation for 3-tert-butylsulfanylperoxythiophene?
The canonical SMILES for 3-tert-butylsulfanylperoxythiophene is CC(C)(C)SOOc1ccsc1.
What is the InChIKey of 3-tert-butylsulfanylperoxythiophene?
The InChIKey is QONBGEMHKNIHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2S2/c1-8(2,3)12-10-9-7-4-5-11-6-7/h4-6H,1-3H3.
What are the key properties of 3-tert-butylsulfanylperoxythiophene?
3-tert-butylsulfanylperoxythiophene has a molecular weight of 204.32 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylsulfanylperoxythiophene is sourced from PubChem (CID 58245473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).