2-methoxy-3-methylthiirane

C4H8OS — CID 18625098

IUPAC2-methoxy-3-methylthiirane
SMILESCOC1SC1C
InChIInChI=1S/C4H8OS/c1-3-4(5-2)6-3/h3-4H,1-2H3
InChIKeyVHZIMCYCGHELAT-UHFFFAOYSA-N
MW104.17 g/mol
LogP1.09
Rot. Bonds1

About 2-methoxy-3-methylthiirane

2-methoxy-3-methylthiirane (PubChem CID 18625098) has the molecular formula C4H8OS and a molecular weight of 104.17 g/mol. Its IUPAC name is 2-methoxy-3-methylthiirane.

Molecular Properties

Compound Name2-methoxy-3-methylthiirane
PubChem CID18625098
Molecular FormulaC4H8OS
Molecular Weight104.17 g/mol
Exact Mass104.03
IUPAC Name2-methoxy-3-methylthiirane
SMILESCOC1SC1C
InChIInChI=1S/C4H8OS/c1-3-4(5-2)6-3/h3-4H,1-2H3
InChIKeyVHZIMCYCGHELAT-UHFFFAOYSA-N
XLogP1.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.17
LogP ≤ 51.09
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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Related Compounds

2-(Methoxymethyl)thiirane
CID 29837
Ethane, 1-methoxy-2-(methylthio)-
CID 4431608
Oxirane, (ethylthiomethyl)-
CID 143048
((Methylthio)methyl)oxirane
CID 548390
2-(Ethoxymethyl)thiirane
CID 474248
(2S)-2-[(Methylsulfanyl)methyl]oxirane
CID 51656362
Thiirane, (butoxymethyl)-
CID 141699
Ethane, ((ethoxymethyl)thio)-
CID 547812
Thiirane, [(1-methylethoxy)methyl]-
CID 11007949
Oxirane, [(butylthio)methyl]-
CID 12274470
2-(2-Methylpropoxymethyl)thiirane
CID 12743358
2-(2-Methoxyethylsulfanyl)propane
CID 15084477

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methylthiirane?
The IUPAC name of 2-methoxy-3-methylthiirane (CID 18625098) is 2-methoxy-3-methylthiirane.
What is the SMILES notation for 2-methoxy-3-methylthiirane?
The canonical SMILES for 2-methoxy-3-methylthiirane is COC1SC1C.
What is the InChIKey of 2-methoxy-3-methylthiirane?
The InChIKey is VHZIMCYCGHELAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8OS/c1-3-4(5-2)6-3/h3-4H,1-2H3.
What are the key properties of 2-methoxy-3-methylthiirane?
2-methoxy-3-methylthiirane has a molecular weight of 104.17 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methylthiirane is sourced from PubChem (CID 18625098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).