2-(prop-1-enoxymethyl)thiirane

C6H10OS — CID 57240713

IUPAC2-(prop-1-enoxymethyl)thiirane
SMILESCC=COCC1CS1
InChIInChI=1S/C6H10OS/c1-2-3-7-4-6-5-8-6/h2-3,6H,4-5H2,1H3
InChIKeyUIJAZJQUTCZJOM-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.65
Rot. Bonds3

About 2-(prop-1-enoxymethyl)thiirane

2-(prop-1-enoxymethyl)thiirane (PubChem CID 57240713) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 2-(prop-1-enoxymethyl)thiirane.

Molecular Properties

Compound Name2-(prop-1-enoxymethyl)thiirane
PubChem CID57240713
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name2-(prop-1-enoxymethyl)thiirane
SMILESCC=COCC1CS1
InChIInChI=1S/C6H10OS/c1-2-3-7-4-6-5-8-6/h2-3,6H,4-5H2,1H3
InChIKeyUIJAZJQUTCZJOM-UHFFFAOYSA-N
XLogP1.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.65
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(prop-1-enoxymethyl)thiirane?
The IUPAC name of 2-(prop-1-enoxymethyl)thiirane (CID 57240713) is 2-(prop-1-enoxymethyl)thiirane.
What is the SMILES notation for 2-(prop-1-enoxymethyl)thiirane?
The canonical SMILES for 2-(prop-1-enoxymethyl)thiirane is CC=COCC1CS1.
What is the InChIKey of 2-(prop-1-enoxymethyl)thiirane?
The InChIKey is UIJAZJQUTCZJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-2-3-7-4-6-5-8-6/h2-3,6H,4-5H2,1H3.
What are the key properties of 2-(prop-1-enoxymethyl)thiirane?
2-(prop-1-enoxymethyl)thiirane has a molecular weight of 130.21 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-1-enoxymethyl)thiirane is sourced from PubChem (CID 57240713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).