5-(sulfanylmethyl)oxolan-2-one

C5H8O2S — CID 20623972

IUPAC5-(sulfanylmethyl)oxolan-2-one
SMILESO=C1CCC(CS)O1
InChIInChI=1S/C5H8O2S/c6-5-2-1-4(3-8)7-5/h4,8H,1-3H2
InChIKeyJLWYPGLUEQAAJK-UHFFFAOYSA-N
MW132.18 g/mol
LogP0.62
Rot. Bonds1

About 5-(sulfanylmethyl)oxolan-2-one

5-(sulfanylmethyl)oxolan-2-one (PubChem CID 20623972) has the molecular formula C5H8O2S and a molecular weight of 132.18 g/mol. Its IUPAC name is 5-(sulfanylmethyl)oxolan-2-one.

Molecular Properties

Compound Name5-(sulfanylmethyl)oxolan-2-one
PubChem CID20623972
Molecular FormulaC5H8O2S
Molecular Weight132.18 g/mol
Exact Mass132.02
IUPAC Name5-(sulfanylmethyl)oxolan-2-one
SMILESO=C1CCC(CS)O1
InChIInChI=1S/C5H8O2S/c6-5-2-1-4(3-8)7-5/h4,8H,1-3H2
InChIKeyJLWYPGLUEQAAJK-UHFFFAOYSA-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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Related Compounds

4-Oxo-3-sulfanylpentyl acetate
CID 12626193
Thio-4-pentanolide
CID 23652099
5-(Methylsulfanylmethyl)oxolan-2-one
CID 13539448
Valeric acid, 4-hydroxy-3-mercapto-, gamma-lactone
CID 143325
Cyclopentyl-3-mercaptopropionate
CID 13651837
2,4-Bis(mercaptomethyl)-4-butanolide
CID 19378144
Cyclopentyl 4-sulfanylbutanoate
CID 20287373
4,4-Dimethyl-5-(sulfanylmethyl)oxolan-2-one
CID 20623697
(3R,5R)-3,5-bis(sulfanylmethyl)oxolan-2-one
CID 22850706
(3R,5S)-3,5-bis(sulfanylmethyl)oxolan-2-one
CID 22850708
5-Ethyl-3-sulfanyloxolan-2-one
CID 23652100
Propan-2-yl 5-sulfanylpentanoate
CID 54274530

Frequently Asked Questions

What is the IUPAC name of 5-(sulfanylmethyl)oxolan-2-one?
The IUPAC name of 5-(sulfanylmethyl)oxolan-2-one (CID 20623972) is 5-(sulfanylmethyl)oxolan-2-one.
What is the SMILES notation for 5-(sulfanylmethyl)oxolan-2-one?
The canonical SMILES for 5-(sulfanylmethyl)oxolan-2-one is O=C1CCC(CS)O1.
What is the InChIKey of 5-(sulfanylmethyl)oxolan-2-one?
The InChIKey is JLWYPGLUEQAAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2S/c6-5-2-1-4(3-8)7-5/h4,8H,1-3H2.
What are the key properties of 5-(sulfanylmethyl)oxolan-2-one?
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 5-(sulfanylmethyl)oxolan-2-one is sourced from PubChem (CID 20623972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).