2-(ethoxymethyl)-2-methylthiirane

C6H12OS — CID 59782893

IUPAC2-(ethoxymethyl)-2-methylthiirane
SMILESCCOCC1(C)CS1
InChIInChI=1S/C6H12OS/c1-3-7-4-6(2)5-8-6/h3-5H2,1-2H3
InChIKeyLKOMGABGKXGZHF-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.53
Rot. Bonds3

About 2-(ethoxymethyl)-2-methylthiirane

2-(ethoxymethyl)-2-methylthiirane (PubChem CID 59782893) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is 2-(ethoxymethyl)-2-methylthiirane.

Molecular Properties

Compound Name2-(ethoxymethyl)-2-methylthiirane
PubChem CID59782893
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name2-(ethoxymethyl)-2-methylthiirane
SMILESCCOCC1(C)CS1
InChIInChI=1S/C6H12OS/c1-3-7-4-6(2)5-8-6/h3-5H2,1-2H3
InChIKeyLKOMGABGKXGZHF-UHFFFAOYSA-N
XLogP1.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.53
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

CID 29837
CID 29837
CID 474248
CID 474248
CID 141699
CID 141699
CID 11007949
CID 11007949
CID 12743358
CID 12743358
CID 100969507
CID 100969507
CID 129022611
CID 129022611
CID 129695203
CID 129695203
CID 10103276
CID 10103276
CID 129721817
CID 129721817
CID 134880781
CID 134880781
CID 134880973
CID 134880973

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-2-methylthiirane?
The IUPAC name of 2-(ethoxymethyl)-2-methylthiirane (CID 59782893) is 2-(ethoxymethyl)-2-methylthiirane.
What is the SMILES notation for 2-(ethoxymethyl)-2-methylthiirane?
The canonical SMILES for 2-(ethoxymethyl)-2-methylthiirane is CCOCC1(C)CS1.
What is the InChIKey of 2-(ethoxymethyl)-2-methylthiirane?
The InChIKey is LKOMGABGKXGZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c1-3-7-4-6(2)5-8-6/h3-5H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-2-methylthiirane?
2-(ethoxymethyl)-2-methylthiirane has a molecular weight of 132.23 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-2-methylthiirane is sourced from PubChem (CID 59782893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).