5-methylthiolan-3-one

C5H8OS — CID 526949

IUPAC5-methylthiolan-3-one
SMILESCC1CC(=O)CS1
InChIInChI=1S/C5H8OS/c1-4-2-5(6)3-7-4/h4H,2-3H2,1H3
InChIKeyGYAWKNURSWKRNU-UHFFFAOYSA-N
MW116.19 g/mol
LogP1.08
Rot. Bonds

About 5-methylthiolan-3-one

5-methylthiolan-3-one (PubChem CID 526949) has the molecular formula C5H8OS and a molecular weight of 116.19 g/mol. Its IUPAC name is 5-methylthiolan-3-one.

Molecular Properties

Compound Name5-methylthiolan-3-one
PubChem CID526949
Molecular FormulaC5H8OS
Molecular Weight116.19 g/mol
Exact Mass116.03
IUPAC Name5-methylthiolan-3-one
SMILESCC1CC(=O)CS1
InChIInChI=1S/C5H8OS/c1-4-2-5(6)3-7-4/h4H,2-3H2,1H3
InChIKeyGYAWKNURSWKRNU-UHFFFAOYSA-N
XLogP1.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.19
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methylthiolan-3-one?
The IUPAC name of 5-methylthiolan-3-one (CID 526949) is 5-methylthiolan-3-one.
What is the SMILES notation for 5-methylthiolan-3-one?
The canonical SMILES for 5-methylthiolan-3-one is CC1CC(=O)CS1.
What is the InChIKey of 5-methylthiolan-3-one?
The InChIKey is GYAWKNURSWKRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8OS/c1-4-2-5(6)3-7-4/h4H,2-3H2,1H3.
What are the key properties of 5-methylthiolan-3-one?
5-methylthiolan-3-one has a molecular weight of 116.19 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylthiolan-3-one is sourced from PubChem (CID 526949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).