2-(2-methylprop-1-enoxymethyl)thiirane

C7H12OS — CID 176603851

IUPAC2-(2-methylprop-1-enoxymethyl)thiirane
SMILESCC(C)=COCC1CS1
InChIInChI=1S/C7H12OS/c1-6(2)3-8-4-7-5-9-7/h3,7H,4-5H2,1-2H3
InChIKeyVUUVBGZECNHYRZ-UHFFFAOYSA-N
MW144.24 g/mol
LogP2.04
Rot. Bonds3

About 2-(2-methylprop-1-enoxymethyl)thiirane

2-(2-methylprop-1-enoxymethyl)thiirane (PubChem CID 176603851) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is 2-(2-methylprop-1-enoxymethyl)thiirane.

Molecular Properties

Compound Name2-(2-methylprop-1-enoxymethyl)thiirane
PubChem CID176603851
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name2-(2-methylprop-1-enoxymethyl)thiirane
SMILESCC(C)=COCC1CS1
InChIInChI=1S/C7H12OS/c1-6(2)3-8-4-7-5-9-7/h3,7H,4-5H2,1-2H3
InChIKeyVUUVBGZECNHYRZ-UHFFFAOYSA-N
XLogP2.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-(2-methylprop-1-enoxymethyl)thiirane with MolForge

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

Launch Full Analysis

Related Compounds

(3E)-2-fluoro-3-(2-methylpropoxymethylidene)thiirane
CID 134570829
2-(Prop-1-enoxymethyl)thiirane
CID 57240713
2-[[(E)-prop-1-enoxy]methyl]thiirane
CID 88775215
1-(2-Ethylsulfanylethoxy)-2-methylprop-1-ene
CID 140143799
2-(2-Methylprop-1-enoxymethyl)thiirane 1-oxide
CID 176603453
2-Methyl-2-(2-methylprop-1-enoxymethyl)thiirane
CID 176603793
2-[2-(2-Methylprop-1-enoxy)ethyl]thiirane
CID 176603917
2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiirane
CID 176604027
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiirane
CID 176604358
2-Methyl-2-(2-methylprop-1-enoxymethyl)thiirane 1-oxide
CID 176604546
2-[1-(2-Methylprop-1-enoxy)ethyl]thiirane
CID 176605087
2-Ethyl-2-(2-methylprop-1-enoxymethyl)thiirane
CID 176605363

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-1-enoxymethyl)thiirane?
The IUPAC name of 2-(2-methylprop-1-enoxymethyl)thiirane (CID 176603851) is 2-(2-methylprop-1-enoxymethyl)thiirane.
What is the SMILES notation for 2-(2-methylprop-1-enoxymethyl)thiirane?
The canonical SMILES for 2-(2-methylprop-1-enoxymethyl)thiirane is CC(C)=COCC1CS1.
What is the InChIKey of 2-(2-methylprop-1-enoxymethyl)thiirane?
The InChIKey is VUUVBGZECNHYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c1-6(2)3-8-4-7-5-9-7/h3,7H,4-5H2,1-2H3.
What are the key properties of 2-(2-methylprop-1-enoxymethyl)thiirane?
2-(2-methylprop-1-enoxymethyl)thiirane has a molecular weight of 144.24 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-1-enoxymethyl)thiirane is sourced from PubChem (CID 176603851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).