(3S,5S)-5-methyl-3-methylsulfanyloxolan-2-one

C6H10O2S — CID 10855613

IUPAC(3S,5S)-5-methyl-3-methylsulfanyloxolan-2-one
SMILESCS[C@H]1C[C@H](C)OC1=O
InChIInChI=1S/C6H10O2S/c1-4-3-5(9-2)6(7)8-4/h4-5H,3H2,1-2H3/t4-,5-/m0/s1
InChIKeyXLRGSKGINCWJMA-WHFBIAKZSA-N
MW146.21 g/mol
LogP1.05
Rot. Bonds1

About (3S,5S)-5-methyl-3-methylsulfanyloxolan-2-one

(3S,5S)-5-methyl-3-methylsulfanyloxolan-2-one (PubChem CID 10855613) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is (3S,5S)-5-methyl-3-methylsulfanyloxolan-2-one.

Molecular Properties

Compound Name(3S,5S)-5-methyl-3-methylsulfanyloxolan-2-one
PubChem CID10855613
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name(3S,5S)-5-methyl-3-methylsulfanyloxolan-2-one
SMILESCS[C@H]1C[C@H](C)OC1=O
InChIInChI=1S/C6H10O2S/c1-4-3-5(9-2)6(7)8-4/h4-5H,3H2,1-2H3/t4-,5-/m0/s1
InChIKeyXLRGSKGINCWJMA-WHFBIAKZSA-N
XLogP1.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2(3H)-Furanone, 4,5-dihydro-5-((methylsulfonyl)methyl)-
CID 212782
Erysulfoxide
CID 127059
Methyl 4-oxothiolane-2-carboxylate
CID 11147873
2(3H)-Furanone, dihydro-3-(methylthio)-
CID 10877159
Ethyl tetrahydrothiophene-2-carboxylate
CID 10931735
Thio-4-pentanolide
CID 23652099
Methyl thiolane-2-carboxylate
CID 15111542
5-(2-(Methylsulfanyl)ethyl)oxolan-2-one
CID 85373383
Dihydro-4-(propylthio)-2(3H)-furanone
CID 13800924
5-(Methylsulfanylmethyl)oxolan-2-one
CID 13539448
5-(Sulfanylmethyl)oxolan-2-one
CID 20623972
3,3-Dimethyl-5-(methylsulfanylmethyl)oxolan-2-one
CID 132551218

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-methyl-3-methylsulfanyloxolan-2-one?
The IUPAC name of (3S,5S)-5-methyl-3-methylsulfanyloxolan-2-one (CID 10855613) is (3S,5S)-5-methyl-3-methylsulfanyloxolan-2-one.
What is the SMILES notation for (3S,5S)-5-methyl-3-methylsulfanyloxolan-2-one?
The canonical SMILES for (3S,5S)-5-methyl-3-methylsulfanyloxolan-2-one is CS[C@H]1C[C@H](C)OC1=O.
What is the InChIKey of (3S,5S)-5-methyl-3-methylsulfanyloxolan-2-one?
The InChIKey is XLRGSKGINCWJMA-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H10O2S/c1-4-3-5(9-2)6(7)8-4/h4-5H,3H2,1-2H3/t4-,5-/m0/s1.
What are the key properties of (3S,5S)-5-methyl-3-methylsulfanyloxolan-2-one?
(3S,5S)-5-methyl-3-methylsulfanyloxolan-2-one has a molecular weight of 146.21 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-methyl-3-methylsulfanyloxolan-2-one is sourced from PubChem (CID 10855613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).