(2S)-2-(methylsulfanylmethyl)oxirane

C4H8OS — CID 51656362

IUPAC(2S)-2-(methylsulfanylmethyl)oxirane
SMILESCSC[C@@H]1CO1
InChIInChI=1S/C4H8OS/c1-6-3-4-2-5-4/h4H,2-3H2,1H3/t4-/m0/s1
InChIKeyOSIXFNQHNPOVIA-BYPYZUCNSA-N
MW104.17 g/mol
LogP0.75
Rot. Bonds2

About (2S)-2-(methylsulfanylmethyl)oxirane

(2S)-2-(methylsulfanylmethyl)oxirane (PubChem CID 51656362) has the molecular formula C4H8OS and a molecular weight of 104.17 g/mol. Its IUPAC name is (2S)-2-(methylsulfanylmethyl)oxirane.

Molecular Properties

Compound Name(2S)-2-(methylsulfanylmethyl)oxirane
PubChem CID51656362
Molecular FormulaC4H8OS
Molecular Weight104.17 g/mol
Exact Mass104.03
IUPAC Name(2S)-2-(methylsulfanylmethyl)oxirane
SMILESCSC[C@@H]1CO1
InChIInChI=1S/C4H8OS/c1-6-3-4-2-5-4/h4H,2-3H2,1H3/t4-/m0/s1
InChIKeyOSIXFNQHNPOVIA-BYPYZUCNSA-N
XLogP0.75
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.17
LogP ≤ 50.75
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 (2S)-2-(methylsulfanylmethyl)oxirane?
The IUPAC name of (2S)-2-(methylsulfanylmethyl)oxirane (CID 51656362) is (2S)-2-(methylsulfanylmethyl)oxirane.
What is the SMILES notation for (2S)-2-(methylsulfanylmethyl)oxirane?
The canonical SMILES for (2S)-2-(methylsulfanylmethyl)oxirane is CSC[C@@H]1CO1.
What is the InChIKey of (2S)-2-(methylsulfanylmethyl)oxirane?
The InChIKey is OSIXFNQHNPOVIA-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H8OS/c1-6-3-4-2-5-4/h4H,2-3H2,1H3/t4-/m0/s1.
What are the key properties of (2S)-2-(methylsulfanylmethyl)oxirane?
(2S)-2-(methylsulfanylmethyl)oxirane has a molecular weight of 104.17 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylsulfanylmethyl)oxirane is sourced from PubChem (CID 51656362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).