2-[[(E)-prop-1-enoxy]methyl]thiirane 1-oxide

C6H10O2S — CID 176602966

IUPAC2-[[(E)-prop-1-enoxy]methyl]thiirane 1-oxide
SMILESC/C=C/OCC1CS1=O
InChIInChI=1S/C6H10O2S/c1-2-3-8-4-6-5-9(6)7/h2-3,6H,4-5H2,1H3/b3-2+
InChIKeyALZOVDZTVAJVKM-NSCUHMNNSA-N
MW146.21 g/mol
LogP0.67
Rot. Bonds3

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

2-[[(E)-prop-1-enoxy]methyl]thiirane 1-oxide (PubChem CID 176602966) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is 2-[[(E)-prop-1-enoxy]methyl]thiirane 1-oxide.

Molecular Properties

Compound Name2-[[(E)-prop-1-enoxy]methyl]thiirane 1-oxide
PubChem CID176602966
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name2-[[(E)-prop-1-enoxy]methyl]thiirane 1-oxide
SMILESC/C=C/OCC1CS1=O
InChIInChI=1S/C6H10O2S/c1-2-3-8-4-6-5-9(6)7/h2-3,6H,4-5H2,1H3/b3-2+
InChIKeyALZOVDZTVAJVKM-NSCUHMNNSA-N
XLogP0.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.67
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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Related Compounds

2-(Prop-1-enoxymethyl)thiirane
CID 57240713
2-[[(E)-prop-1-enoxy]methyl]thiirane
CID 88775215
2-(Ethenoxymethyl)-2-methylthiirane 1-oxide
CID 176603132
2-[2-[(E)-prop-1-enoxy]ethyl]thiirane 1,1-dioxide
CID 176603312
2-(2-Methylprop-1-enoxymethyl)thiirane 1-oxide
CID 176603453
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]thiirane 1-oxide
CID 176603552
2-(Ethenoxymethyl)thiirane 1-oxide
CID 176603612
2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiirane 1,1-dioxide
CID 176603758
2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiirane
CID 176604027
2-[1-[(E)-prop-1-enoxy]ethyl]thiirane 1-oxide
CID 176604414
2-[[(E)-prop-1-enoxy]methyl]thiirane 1,1-dioxide
CID 176604492
2-Methyl-2-(2-methylprop-1-enoxymethyl)thiirane 1-oxide
CID 176604546

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-prop-1-enoxy]methyl]thiirane 1-oxide?
The IUPAC name of 2-[[(E)-prop-1-enoxy]methyl]thiirane 1-oxide (CID 176602966) is 2-[[(E)-prop-1-enoxy]methyl]thiirane 1-oxide.
What is the SMILES notation for 2-[[(E)-prop-1-enoxy]methyl]thiirane 1-oxide?
The canonical SMILES for 2-[[(E)-prop-1-enoxy]methyl]thiirane 1-oxide is C/C=C/OCC1CS1=O.
What is the InChIKey of 2-[[(E)-prop-1-enoxy]methyl]thiirane 1-oxide?
The InChIKey is ALZOVDZTVAJVKM-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H10O2S/c1-2-3-8-4-6-5-9(6)7/h2-3,6H,4-5H2,1H3/b3-2+.
What are the key properties of 2-[[(E)-prop-1-enoxy]methyl]thiirane 1-oxide?
2-[[(E)-prop-1-enoxy]methyl]thiirane 1-oxide has a molecular weight of 146.21 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-prop-1-enoxy]methyl]thiirane 1-oxide is sourced from PubChem (CID 176602966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).