2-[2-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide

C10H18O2S — CID 176604097

IUPAC2-[2-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide
SMILESC/C=C/OCCC1CCCCS1=O
InChIInChI=1S/C10H18O2S/c1-2-7-12-8-6-10-5-3-4-9-13(10)11/h2,7,10H,3-6,8-9H2,1H3/b7-2+
InChIKeyAYEPTCYXUQJQAE-FARCUNLSSA-N
MW202.32 g/mol
LogP2.23
Rot. Bonds4

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

2-[2-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide (PubChem CID 176604097) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is 2-[2-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide.

Molecular Properties

Compound Name2-[2-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide
PubChem CID176604097
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name2-[2-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide
SMILESC/C=C/OCCC1CCCCS1=O
InChIInChI=1S/C10H18O2S/c1-2-7-12-8-6-10-5-3-4-9-13(10)11/h2,7,10H,3-6,8-9H2,1H3/b7-2+
InChIKeyAYEPTCYXUQJQAE-FARCUNLSSA-N
XLogP2.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 52.23
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'}

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Related Compounds

3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]thiane 1,1-dioxide
CID 176602912
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiane 1-oxide
CID 176603004
3-[3-[(E)-prop-1-enoxy]propyl]thiane 1,1-dioxide
CID 176603078
2-[[(E)-prop-1-enoxy]methyl]thiane 1,1-dioxide
CID 176603109
2-[[(E)-prop-1-enoxy]methyl]thiane
CID 176603141
2-[1-(2-Methylprop-1-enoxy)ethyl]thiane 1-oxide
CID 176603147
2-[3-[(E)-prop-1-enoxy]propyl]thiane 1-oxide
CID 176603270
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiane 1,1-dioxide
CID 176603372
2-(3-Ethenoxypropyl)thiane 1-oxide
CID 176603382
2-[2-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide
CID 176603489
2-[1-[(E)-prop-1-enoxy]ethyl]thiane
CID 176603498
3-[2-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide
CID 176603665

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide?
The IUPAC name of 2-[2-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide (CID 176604097) is 2-[2-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide.
What is the SMILES notation for 2-[2-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide?
The canonical SMILES for 2-[2-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide is C/C=C/OCCC1CCCCS1=O.
What is the InChIKey of 2-[2-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide?
The InChIKey is AYEPTCYXUQJQAE-FARCUNLSSA-N. The full InChI is InChI=1S/C10H18O2S/c1-2-7-12-8-6-10-5-3-4-9-13(10)11/h2,7,10H,3-6,8-9H2,1H3/b7-2+.
What are the key properties of 2-[2-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide?
2-[2-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide has a molecular weight of 202.32 g/mol, XLogP of 2.23, 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]thiane 1-oxide is sourced from PubChem (CID 176604097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).