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

C9H16O2S — CID 176603489

IUPAC2-[2-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide
SMILESC/C=C/OCCC1CCCS1=O
InChIInChI=1S/C9H16O2S/c1-2-6-11-7-5-9-4-3-8-12(9)10/h2,6,9H,3-5,7-8H2,1H3/b6-2+
InChIKeyBIIBVHJRIGAUMR-QHHAFSJGSA-N
MW188.29 g/mol
LogP1.84
Rot. Bonds4

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

2-[2-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide (PubChem CID 176603489) has the molecular formula C9H16O2S and a molecular weight of 188.29 g/mol. Its IUPAC name is 2-[2-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide.

Molecular Properties

Compound Name2-[2-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide
PubChem CID176603489
Molecular FormulaC9H16O2S
Molecular Weight188.29 g/mol
Exact Mass188.09
IUPAC Name2-[2-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide
SMILESC/C=C/OCCC1CCCS1=O
InChIInChI=1S/C9H16O2S/c1-2-6-11-7-5-9-4-3-8-12(9)10/h2,6,9H,3-5,7-8H2,1H3/b6-2+
InChIKeyBIIBVHJRIGAUMR-QHHAFSJGSA-N
XLogP1.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.84
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

2-[[(E)-prop-1-enoxy]methyl]thiane 1,1-dioxide
CID 176603109
2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide
CID 176603136
2-[3-(2-Methylprop-1-enoxy)propyl]thiolane 1-oxide
CID 176603268
2-[3-[(E)-prop-1-enoxy]propyl]thiane 1-oxide
CID 176603270
2-[3-[(E)-prop-1-enoxy]propyl]thiolane
CID 176603325
2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide
CID 176603350
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]thiolane 1-oxide
CID 176603365
2-[2-[(E)-prop-1-enoxy]ethyl]thiolane
CID 176603408
2-[1-(2-Methylprop-1-enoxy)ethyl]thiolane 1-oxide
CID 176603469
2-[1-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide
CID 176603666
2-[3-[(E)-prop-1-enoxy]propyl]thiocane 1-oxide
CID 176603674
3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide
CID 176603932

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide?
The IUPAC name of 2-[2-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide (CID 176603489) is 2-[2-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide.
What is the SMILES notation for 2-[2-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide?
The canonical SMILES for 2-[2-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide is C/C=C/OCCC1CCCS1=O.
What is the InChIKey of 2-[2-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide?
The InChIKey is BIIBVHJRIGAUMR-QHHAFSJGSA-N. The full InChI is InChI=1S/C9H16O2S/c1-2-6-11-7-5-9-4-3-8-12(9)10/h2,6,9H,3-5,7-8H2,1H3/b6-2+.
What are the key properties of 2-[2-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide?
2-[2-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide has a molecular weight of 188.29 g/mol, XLogP of 1.84, 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]thiolane 1-oxide is sourced from PubChem (CID 176603489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).