2-methyl-3-methylsulfinyloxirane

C4H8O2S — CID 88871029

IUPAC2-methyl-3-methylsulfinyloxirane
SMILESCC1OC1S(C)=O
InChIInChI=1S/C4H8O2S/c1-3-4(6-3)7(2)5/h3-4H,1-2H3
InChIKeyFSVREZBNUZLTTO-UHFFFAOYSA-N
MW120.17 g/mol
LogP0.11
Rot. Bonds1

About 2-methyl-3-methylsulfinyloxirane

2-methyl-3-methylsulfinyloxirane (PubChem CID 88871029) has the molecular formula C4H8O2S and a molecular weight of 120.17 g/mol. Its IUPAC name is 2-methyl-3-methylsulfinyloxirane.

Molecular Properties

Compound Name2-methyl-3-methylsulfinyloxirane
PubChem CID88871029
Molecular FormulaC4H8O2S
Molecular Weight120.17 g/mol
Exact Mass120.02
IUPAC Name2-methyl-3-methylsulfinyloxirane
SMILESCC1OC1S(C)=O
InChIInChI=1S/C4H8O2S/c1-3-4(6-3)7(2)5/h3-4H,1-2H3
InChIKeyFSVREZBNUZLTTO-UHFFFAOYSA-N
XLogP0.11
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylsulfinyloxirane?
The IUPAC name of 2-methyl-3-methylsulfinyloxirane (CID 88871029) is 2-methyl-3-methylsulfinyloxirane.
What is the SMILES notation for 2-methyl-3-methylsulfinyloxirane?
The canonical SMILES for 2-methyl-3-methylsulfinyloxirane is CC1OC1S(C)=O.
What is the InChIKey of 2-methyl-3-methylsulfinyloxirane?
The InChIKey is FSVREZBNUZLTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2S/c1-3-4(6-3)7(2)5/h3-4H,1-2H3.
What are the key properties of 2-methyl-3-methylsulfinyloxirane?
2-methyl-3-methylsulfinyloxirane has a molecular weight of 120.17 g/mol, XLogP of 0.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylsulfinyloxirane is sourced from PubChem (CID 88871029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).