2-(methylsulfinylmethyl)oxirane

C4H8O2S — CID 115474758

IUPAC2-(methylsulfinylmethyl)oxirane
SMILESCS(=O)CC1CO1
InChIInChI=1S/C4H8O2S/c1-7(5)3-4-2-6-4/h4H,2-3H2,1H3
InChIKeyOPMRUBHHDZAKAL-UHFFFAOYSA-N
MW120.17 g/mol
LogP-0.24
Rot. Bonds2

About 2-(methylsulfinylmethyl)oxirane

2-(methylsulfinylmethyl)oxirane (PubChem CID 115474758) has the molecular formula C4H8O2S and a molecular weight of 120.17 g/mol. Its IUPAC name is 2-(methylsulfinylmethyl)oxirane.

Molecular Properties

Compound Name2-(methylsulfinylmethyl)oxirane
PubChem CID115474758
Molecular FormulaC4H8O2S
Molecular Weight120.17 g/mol
Exact Mass120.02
IUPAC Name2-(methylsulfinylmethyl)oxirane
SMILESCS(=O)CC1CO1
InChIInChI=1S/C4H8O2S/c1-7(5)3-4-2-6-4/h4H,2-3H2,1H3
InChIKeyOPMRUBHHDZAKAL-UHFFFAOYSA-N
XLogP-0.24
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 5-0.24
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-(methylsulfinylmethyl)oxirane?
The IUPAC name of 2-(methylsulfinylmethyl)oxirane (CID 115474758) is 2-(methylsulfinylmethyl)oxirane.
What is the SMILES notation for 2-(methylsulfinylmethyl)oxirane?
The canonical SMILES for 2-(methylsulfinylmethyl)oxirane is CS(=O)CC1CO1.
What is the InChIKey of 2-(methylsulfinylmethyl)oxirane?
The InChIKey is OPMRUBHHDZAKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2S/c1-7(5)3-4-2-6-4/h4H,2-3H2,1H3.
What are the key properties of 2-(methylsulfinylmethyl)oxirane?
2-(methylsulfinylmethyl)oxirane has a molecular weight of 120.17 g/mol, XLogP of -0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfinylmethyl)oxirane is sourced from PubChem (CID 115474758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).