4-phenyl-1,3,2-dioxathietane

C7H6O2S — CID 141391281

IUPAC4-phenyl-1,3,2-dioxathietane
SMILESc1ccc(C2OSO2)cc1
InChIInChI=1S/C7H6O2S/c1-2-4-6(5-3-1)7-8-10-9-7/h1-5,7H
InChIKeyMSUHCYLOOGOTMY-UHFFFAOYSA-N
MW154.19 g/mol
LogP2.30
Rot. Bonds1

About 4-phenyl-1,3,2-dioxathietane

4-phenyl-1,3,2-dioxathietane (PubChem CID 141391281) has the molecular formula C7H6O2S and a molecular weight of 154.19 g/mol. Its IUPAC name is 4-phenyl-1,3,2-dioxathietane.

Molecular Properties

Compound Name4-phenyl-1,3,2-dioxathietane
PubChem CID141391281
Molecular FormulaC7H6O2S
Molecular Weight154.19 g/mol
Exact Mass154.01
IUPAC Name4-phenyl-1,3,2-dioxathietane
SMILESc1ccc(C2OSO2)cc1
InChIInChI=1S/C7H6O2S/c1-2-4-6(5-3-1)7-8-10-9-7/h1-5,7H
InChIKeyMSUHCYLOOGOTMY-UHFFFAOYSA-N
XLogP2.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-phenyltetraoxolane
CID 102034769
(4S)-4,5-dimethyl-2-phenyl-1,3-dioxolane
CID 68508640
4-phenyl-3,5-dioxa-8-thiabicyclo[5.1.0]octane
CID 162369787
(3S,4S)-3,4-diphenyldioxetane
CID 71394517
2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 20606657
2-phenyl-1,3-dioxonane
CID 70602118
2,5-diphenyl-1,3-dioxane-4,6-dione
CID 10683306
[(4S,5S)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 719727
2-phenyl-1,3-dioxane-4,6-dione;silane
CID 157111906
2-phenyl-4-propan-2-yl-1,3-dioxetane
CID 67555130
(3R,6S)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432934
(3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432935

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1,3,2-dioxathietane?
The IUPAC name of 4-phenyl-1,3,2-dioxathietane (CID 141391281) is 4-phenyl-1,3,2-dioxathietane.
What is the SMILES notation for 4-phenyl-1,3,2-dioxathietane?
The canonical SMILES for 4-phenyl-1,3,2-dioxathietane is c1ccc(C2OSO2)cc1.
What is the InChIKey of 4-phenyl-1,3,2-dioxathietane?
The InChIKey is MSUHCYLOOGOTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2S/c1-2-4-6(5-3-1)7-8-10-9-7/h1-5,7H.
What are the key properties of 4-phenyl-1,3,2-dioxathietane?
4-phenyl-1,3,2-dioxathietane has a molecular weight of 154.19 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1,3,2-dioxathietane is sourced from PubChem (CID 141391281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).