3-methylsulfanyloxolan-2-one

C5H8O2S — CID 10877159

IUPAC3-methylsulfanyloxolan-2-one
SMILESCSC1CCOC1=O
InChIInChI=1S/C5H8O2S/c1-8-4-2-3-7-5(4)6/h4H,2-3H2,1H3
InChIKeyKSIFEEOBKKMYGA-UHFFFAOYSA-N
MW132.18 g/mol
LogP0.66
Rot. Bonds1

About 3-methylsulfanyloxolan-2-one

3-methylsulfanyloxolan-2-one (PubChem CID 10877159) has the molecular formula C5H8O2S and a molecular weight of 132.18 g/mol. Its IUPAC name is 3-methylsulfanyloxolan-2-one.

Molecular Properties

Compound Name3-methylsulfanyloxolan-2-one
PubChem CID10877159
Molecular FormulaC5H8O2S
Molecular Weight132.18 g/mol
Exact Mass132.02
IUPAC Name3-methylsulfanyloxolan-2-one
SMILESCSC1CCOC1=O
InChIInChI=1S/C5H8O2S/c1-8-4-2-3-7-5(4)6/h4H,2-3H2,1H3
InChIKeyKSIFEEOBKKMYGA-UHFFFAOYSA-N
XLogP0.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 3-(methylthio)propionate
CID 61592
Methionyl butyrate
CID 85520
Methyl 3-(methylthio)butanoate
CID 547907
Ethyl 4-(acetylthio)butyrate
CID 54048924
Methyl 2-(methylthio)-butyrate
CID 560572
Methyl 4-(methylthio)butyrate
CID 65425
Ethyl 4-(methylthio)butyrate
CID 5463935
Ethyl 3-(methylthio)butyrate
CID 22213645
5-(Butylsulfanyl)oxolan-2-one
CID 57998446
Ethyl tetrahydrothiophene-2-carboxylate
CID 10931735
Ethyl (2-methyl-1,3-dithiolan-2-yl)acetate
CID 576649
2-Acetoxytetrahydrothiophene
CID 12848680

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyloxolan-2-one?
The IUPAC name of 3-methylsulfanyloxolan-2-one (CID 10877159) is 3-methylsulfanyloxolan-2-one.
What is the SMILES notation for 3-methylsulfanyloxolan-2-one?
The canonical SMILES for 3-methylsulfanyloxolan-2-one is CSC1CCOC1=O.
What is the InChIKey of 3-methylsulfanyloxolan-2-one?
The InChIKey is KSIFEEOBKKMYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2S/c1-8-4-2-3-7-5(4)6/h4H,2-3H2,1H3.
What are the key properties of 3-methylsulfanyloxolan-2-one?
3-methylsulfanyloxolan-2-one has a molecular weight of 132.18 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyloxolan-2-one is sourced from PubChem (CID 10877159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).