(4S)-4-phenylsulfanylazetidin-2-one

C9H9NOS — CID 6481927

IUPAC(4S)-4-phenylsulfanylazetidin-2-one
SMILESO=C1C[C@H](Sc2ccccc2)N1
InChIInChI=1S/C9H9NOS/c11-8-6-9(10-8)12-7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11)/t9-/m0/s1
InChIKeyIQVDSMUMVVBIQZ-VIFPVBQESA-N
MW179.24 g/mol
LogP1.62
Rot. Bonds2

About (4S)-4-phenylsulfanylazetidin-2-one

(4S)-4-phenylsulfanylazetidin-2-one (PubChem CID 6481927) has the molecular formula C9H9NOS and a molecular weight of 179.24 g/mol. Its IUPAC name is (4S)-4-phenylsulfanylazetidin-2-one.

Molecular Properties

Compound Name(4S)-4-phenylsulfanylazetidin-2-one
PubChem CID6481927
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
Exact Mass179.04
IUPAC Name(4S)-4-phenylsulfanylazetidin-2-one
SMILESO=C1C[C@H](Sc2ccccc2)N1
InChIInChI=1S/C9H9NOS/c11-8-6-9(10-8)12-7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11)/t9-/m0/s1
InChIKeyIQVDSMUMVVBIQZ-VIFPVBQESA-N
XLogP1.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-phenylsulfanylazetidin-2-one?
The IUPAC name of (4S)-4-phenylsulfanylazetidin-2-one (CID 6481927) is (4S)-4-phenylsulfanylazetidin-2-one.
What is the SMILES notation for (4S)-4-phenylsulfanylazetidin-2-one?
The canonical SMILES for (4S)-4-phenylsulfanylazetidin-2-one is O=C1C[C@H](Sc2ccccc2)N1.
What is the InChIKey of (4S)-4-phenylsulfanylazetidin-2-one?
The InChIKey is IQVDSMUMVVBIQZ-VIFPVBQESA-N. The full InChI is InChI=1S/C9H9NOS/c11-8-6-9(10-8)12-7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11)/t9-/m0/s1.
What are the key properties of (4S)-4-phenylsulfanylazetidin-2-one?
(4S)-4-phenylsulfanylazetidin-2-one has a molecular weight of 179.24 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-phenylsulfanylazetidin-2-one is sourced from PubChem (CID 6481927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).