(5S)-5-(sulfanylmethyl)oxolan-2-one

C5H8O2S — CID 59949087

IUPAC(5S)-5-(sulfanylmethyl)oxolan-2-one
SMILESO=C1CC[C@@H](CS)O1
InChIInChI=1S/C5H8O2S/c6-5-2-1-4(3-8)7-5/h4,8H,1-3H2/t4-/m0/s1
InChIKeyJLWYPGLUEQAAJK-BYPYZUCNSA-N
MW132.18 g/mol
LogP0.62
Rot. Bonds1

About (5S)-5-(sulfanylmethyl)oxolan-2-one

(5S)-5-(sulfanylmethyl)oxolan-2-one (PubChem CID 59949087) has the molecular formula C5H8O2S and a molecular weight of 132.18 g/mol. Its IUPAC name is (5S)-5-(sulfanylmethyl)oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-(sulfanylmethyl)oxolan-2-one
PubChem CID59949087
Molecular FormulaC5H8O2S
Molecular Weight132.18 g/mol
Exact Mass132.02
IUPAC Name(5S)-5-(sulfanylmethyl)oxolan-2-one
SMILESO=C1CC[C@@H](CS)O1
InChIInChI=1S/C5H8O2S/c6-5-2-1-4(3-8)7-5/h4,8H,1-3H2/t4-/m0/s1
InChIKeyJLWYPGLUEQAAJK-BYPYZUCNSA-N
XLogP0.62
TPSA26.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(sulfanylmethyl)oxolan-2-one?
The IUPAC name of (5S)-5-(sulfanylmethyl)oxolan-2-one (CID 59949087) is (5S)-5-(sulfanylmethyl)oxolan-2-one.
What is the SMILES notation for (5S)-5-(sulfanylmethyl)oxolan-2-one?
The canonical SMILES for (5S)-5-(sulfanylmethyl)oxolan-2-one is O=C1CC[C@@H](CS)O1.
What is the InChIKey of (5S)-5-(sulfanylmethyl)oxolan-2-one?
The InChIKey is JLWYPGLUEQAAJK-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H8O2S/c6-5-2-1-4(3-8)7-5/h4,8H,1-3H2/t4-/m0/s1.
What are the key properties of (5S)-5-(sulfanylmethyl)oxolan-2-one?
(5S)-5-(sulfanylmethyl)oxolan-2-one has a molecular weight of 132.18 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(sulfanylmethyl)oxolan-2-one is sourced from PubChem (CID 59949087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).