2-ethyl-2-methylthiirane

C5H10S — CID 57110377

IUPAC2-ethyl-2-methylthiirane
SMILESCCC1(C)CS1
InChIInChI=1S/C5H10S/c1-3-5(2)4-6-5/h3-4H2,1-2H3
InChIKeyXIVQIMJXNTVZJM-UHFFFAOYSA-N
MW102.20 g/mol
LogP1.90
Rot. Bonds1

About 2-ethyl-2-methylthiirane

2-ethyl-2-methylthiirane (PubChem CID 57110377) has the molecular formula C5H10S and a molecular weight of 102.20 g/mol. Its IUPAC name is 2-ethyl-2-methylthiirane.

Molecular Properties

Compound Name2-ethyl-2-methylthiirane
PubChem CID57110377
Molecular FormulaC5H10S
Molecular Weight102.20 g/mol
Exact Mass102.05
IUPAC Name2-ethyl-2-methylthiirane
SMILESCCC1(C)CS1
InChIInChI=1S/C5H10S/c1-3-5(2)4-6-5/h3-4H2,1-2H3
InChIKeyXIVQIMJXNTVZJM-UHFFFAOYSA-N
XLogP1.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.20
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethyl-2-methylthiirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methylthiirane?
The IUPAC name of 2-ethyl-2-methylthiirane (CID 57110377) is 2-ethyl-2-methylthiirane.
What is the SMILES notation for 2-ethyl-2-methylthiirane?
The canonical SMILES for 2-ethyl-2-methylthiirane is CCC1(C)CS1.
What is the InChIKey of 2-ethyl-2-methylthiirane?
The InChIKey is XIVQIMJXNTVZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S/c1-3-5(2)4-6-5/h3-4H2,1-2H3.
What are the key properties of 2-ethyl-2-methylthiirane?
2-ethyl-2-methylthiirane has a molecular weight of 102.20 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methylthiirane is sourced from PubChem (CID 57110377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).