4-(4-hydroxyphenyl)sulfanylazetidin-2-one

C9H9NO2S — CID 54764503

IUPAC4-(4-hydroxyphenyl)sulfanylazetidin-2-one
SMILESO=C1CC(Sc2ccc(O)cc2)N1
InChIInChI=1S/C9H9NO2S/c11-6-1-3-7(4-2-6)13-9-5-8(12)10-9/h1-4,9,11H,5H2,(H,10,12)
InChIKeyXLQZJQOPSGDIKI-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.33
Rot. Bonds2

About 4-(4-hydroxyphenyl)sulfanylazetidin-2-one

4-(4-hydroxyphenyl)sulfanylazetidin-2-one (PubChem CID 54764503) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)sulfanylazetidin-2-one.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)sulfanylazetidin-2-one
PubChem CID54764503
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Name4-(4-hydroxyphenyl)sulfanylazetidin-2-one
SMILESO=C1CC(Sc2ccc(O)cc2)N1
InChIInChI=1S/C9H9NO2S/c11-6-1-3-7(4-2-6)13-9-5-8(12)10-9/h1-4,9,11H,5H2,(H,10,12)
InChIKeyXLQZJQOPSGDIKI-UHFFFAOYSA-N
XLogP1.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)sulfanylazetidin-2-one?
The IUPAC name of 4-(4-hydroxyphenyl)sulfanylazetidin-2-one (CID 54764503) is 4-(4-hydroxyphenyl)sulfanylazetidin-2-one.
What is the SMILES notation for 4-(4-hydroxyphenyl)sulfanylazetidin-2-one?
The canonical SMILES for 4-(4-hydroxyphenyl)sulfanylazetidin-2-one is O=C1CC(Sc2ccc(O)cc2)N1.
What is the InChIKey of 4-(4-hydroxyphenyl)sulfanylazetidin-2-one?
The InChIKey is XLQZJQOPSGDIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c11-6-1-3-7(4-2-6)13-9-5-8(12)10-9/h1-4,9,11H,5H2,(H,10,12).
What are the key properties of 4-(4-hydroxyphenyl)sulfanylazetidin-2-one?
4-(4-hydroxyphenyl)sulfanylazetidin-2-one has a molecular weight of 195.24 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)sulfanylazetidin-2-one is sourced from PubChem (CID 54764503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).