2-[1-[(E)-prop-1-enoxy]ethyl]thiirane

C7H12OS — CID 176605409

IUPAC2-[1-[(E)-prop-1-enoxy]ethyl]thiirane
SMILESC/C=C/OC(C)C1CS1
InChIInChI=1S/C7H12OS/c1-3-4-8-6(2)7-5-9-7/h3-4,6-7H,5H2,1-2H3/b4-3+
InChIKeyWFWGRTJNCLCCIE-ONEGZZNKSA-N
MW144.24 g/mol
LogP2.04
Rot. Bonds3

About 2-[1-[(E)-prop-1-enoxy]ethyl]thiirane

2-[1-[(E)-prop-1-enoxy]ethyl]thiirane (PubChem CID 176605409) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is 2-[1-[(E)-prop-1-enoxy]ethyl]thiirane.

Molecular Properties

Compound Name2-[1-[(E)-prop-1-enoxy]ethyl]thiirane
PubChem CID176605409
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name2-[1-[(E)-prop-1-enoxy]ethyl]thiirane
SMILESC/C=C/OC(C)C1CS1
InChIInChI=1S/C7H12OS/c1-3-4-8-6(2)7-5-9-7/h3-4,6-7H,5H2,1-2H3/b4-3+
InChIKeyWFWGRTJNCLCCIE-ONEGZZNKSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(E)-prop-1-enoxy]ethyl]thiirane?
The IUPAC name of 2-[1-[(E)-prop-1-enoxy]ethyl]thiirane (CID 176605409) is 2-[1-[(E)-prop-1-enoxy]ethyl]thiirane.
What is the SMILES notation for 2-[1-[(E)-prop-1-enoxy]ethyl]thiirane?
The canonical SMILES for 2-[1-[(E)-prop-1-enoxy]ethyl]thiirane is C/C=C/OC(C)C1CS1.
What is the InChIKey of 2-[1-[(E)-prop-1-enoxy]ethyl]thiirane?
The InChIKey is WFWGRTJNCLCCIE-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H12OS/c1-3-4-8-6(2)7-5-9-7/h3-4,6-7H,5H2,1-2H3/b4-3+.
What are the key properties of 2-[1-[(E)-prop-1-enoxy]ethyl]thiirane?
2-[1-[(E)-prop-1-enoxy]ethyl]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-[1-[(E)-prop-1-enoxy]ethyl]thiirane is sourced from PubChem (CID 176605409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).