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

C7H12OS — CID 176603269

IUPAC2-[2-[(E)-prop-1-enoxy]ethyl]thiirane
SMILESC/C=C/OCCC1CS1
InChIInChI=1S/C7H12OS/c1-2-4-8-5-3-7-6-9-7/h2,4,7H,3,5-6H2,1H3/b4-2+
InChIKeyHTUWXNHOJTXRBZ-DUXPYHPUSA-N
MW144.24 g/mol
LogP2.04
Rot. Bonds4

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

2-[2-[(E)-prop-1-enoxy]ethyl]thiirane (PubChem CID 176603269) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is 2-[2-[(E)-prop-1-enoxy]ethyl]thiirane.

Molecular Properties

Compound Name2-[2-[(E)-prop-1-enoxy]ethyl]thiirane
PubChem CID176603269
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name2-[2-[(E)-prop-1-enoxy]ethyl]thiirane
SMILESC/C=C/OCCC1CS1
InChIInChI=1S/C7H12OS/c1-2-4-8-5-3-7-6-9-7/h2,4,7H,3,5-6H2,1H3/b4-2+
InChIKeyHTUWXNHOJTXRBZ-DUXPYHPUSA-N
XLogP2.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

Ethoxyvinylthiirane
CID 129793083
2-(Prop-1-enoxymethyl)thiirane
CID 57240713
2-[(Z)-prop-1-enoxy]thiolane
CID 68960628
2-Prop-1-enoxythiolane
CID 77580741
2-[[(E)-prop-1-enoxy]methyl]thiirane
CID 88775215
3-Methylsulfanyl-1-propoxyprop-1-ene
CID 123221448
ethane;4H-1,3-oxathiine
CID 142173991
2-[2-[(E)-prop-1-enoxy]ethyl]thiirane 1,1-dioxide
CID 176603312
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-[(E)-prop-1-enoxy]ethyl]thiirane
CID 176604142
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiirane
CID 176604196

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-prop-1-enoxy]ethyl]thiirane?
The IUPAC name of 2-[2-[(E)-prop-1-enoxy]ethyl]thiirane (CID 176603269) is 2-[2-[(E)-prop-1-enoxy]ethyl]thiirane.
What is the SMILES notation for 2-[2-[(E)-prop-1-enoxy]ethyl]thiirane?
The canonical SMILES for 2-[2-[(E)-prop-1-enoxy]ethyl]thiirane is C/C=C/OCCC1CS1.
What is the InChIKey of 2-[2-[(E)-prop-1-enoxy]ethyl]thiirane?
The InChIKey is HTUWXNHOJTXRBZ-DUXPYHPUSA-N. The full InChI is InChI=1S/C7H12OS/c1-2-4-8-5-3-7-6-9-7/h2,4,7H,3,5-6H2,1H3/b4-2+.
What are the key properties of 2-[2-[(E)-prop-1-enoxy]ethyl]thiirane?
2-[2-[(E)-prop-1-enoxy]ethyl]thiirane has a molecular weight of 144.24 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-prop-1-enoxy]ethyl]thiirane is sourced from PubChem (CID 176603269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).