3-[1-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide

C10H18O2S — CID 176603668

IUPAC3-[1-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide
SMILESC/C=C/OC(C)C1CCCS(=O)C1
InChIInChI=1S/C10H18O2S/c1-3-6-12-9(2)10-5-4-7-13(11)8-10/h3,6,9-10H,4-5,7-8H2,1-2H3/b6-3+
InChIKeyPIRAFWGKZAIRQB-ZZXKWVIFSA-N
MW202.32 g/mol
LogP2.08
Rot. Bonds3

About 3-[1-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide

3-[1-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide (PubChem CID 176603668) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is 3-[1-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide.

Molecular Properties

Compound Name3-[1-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide
PubChem CID176603668
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name3-[1-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide
SMILESC/C=C/OC(C)C1CCCS(=O)C1
InChIInChI=1S/C10H18O2S/c1-3-6-12-9(2)10-5-4-7-13(11)8-10/h3,6,9-10H,4-5,7-8H2,1-2H3/b6-3+
InChIKeyPIRAFWGKZAIRQB-ZZXKWVIFSA-N
XLogP2.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2-Methylprop-1-enoxy)ethyl]thiane 1-oxide
CID 176603043
3-[3-[(E)-prop-1-enoxy]propyl]thiane 1,1-dioxide
CID 176603078
3-[1-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide
CID 176603083
3-[2-(2-Methylprop-1-enoxy)ethyl]thiane 1,1-dioxide
CID 176603119
4-[3-[(E)-prop-1-enoxy]propyl]thiane 1,1-dioxide
CID 176603206
3-(1-Ethenoxyethyl)thiane 1-oxide
CID 176603311
4-(1-Ethenoxyethyl)thiane 1-oxide
CID 176603313
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiane 1,1-dioxide
CID 176603372
4-ethyl-4-[3-[(E)-prop-1-enoxy]propyl]thiane 1,1-dioxide
CID 176603454
4-[1-[(E)-prop-1-enoxy]ethyl]thiane
CID 176603541
4-[1-(2-Methylprop-1-enoxy)ethyl]thiane 1,1-dioxide
CID 176603610
3-[2-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide
CID 176603665

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide?
The IUPAC name of 3-[1-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide (CID 176603668) is 3-[1-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide.
What is the SMILES notation for 3-[1-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide?
The canonical SMILES for 3-[1-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide is C/C=C/OC(C)C1CCCS(=O)C1.
What is the InChIKey of 3-[1-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide?
The InChIKey is PIRAFWGKZAIRQB-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H18O2S/c1-3-6-12-9(2)10-5-4-7-13(11)8-10/h3,6,9-10H,4-5,7-8H2,1-2H3/b6-3+.
What are the key properties of 3-[1-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide?
3-[1-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide has a molecular weight of 202.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide is sourced from PubChem (CID 176603668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).