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

C10H18O2S — CID 176603666

IUPAC2-[1-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide
SMILESC/C=C/OC(C)C1CCCCS1=O
InChIInChI=1S/C10H18O2S/c1-3-7-12-9(2)10-6-4-5-8-13(10)11/h3,7,9-10H,4-6,8H2,1-2H3/b7-3+
InChIKeyBGROJOBUEMDVMF-XVNBXDOJSA-N
MW202.32 g/mol
LogP2.23
Rot. Bonds3

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

2-[1-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide (PubChem CID 176603666) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is 2-[1-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide.

Molecular Properties

Compound Name2-[1-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide
PubChem CID176603666
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name2-[1-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide
SMILESC/C=C/OC(C)C1CCCCS1=O
InChIInChI=1S/C10H18O2S/c1-3-7-12-9(2)10-6-4-5-8-13(10)11/h3,7,9-10H,4-6,8H2,1-2H3/b7-3+
InChIKeyBGROJOBUEMDVMF-XVNBXDOJSA-N
XLogP2.23
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 ≤ 52.23
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

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-[2-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide
CID 176603489
2-[1-[(E)-prop-1-enoxy]ethyl]thiane
CID 176603498
3-[1-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide
CID 176603668
2-[1-(2-Methylprop-1-enoxy)ethyl]thiane 1,1-dioxide
CID 176603796
2-[1-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide
CID 176603935
2-(1-Ethenoxyethyl)thiane 1-oxide
CID 176603968
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]thiane 1-oxide
CID 176603989

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide?
The IUPAC name of 2-[1-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide (CID 176603666) is 2-[1-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide.
What is the SMILES notation for 2-[1-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide?
The canonical SMILES for 2-[1-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide is C/C=C/OC(C)C1CCCCS1=O.
What is the InChIKey of 2-[1-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide?
The InChIKey is BGROJOBUEMDVMF-XVNBXDOJSA-N. The full InChI is InChI=1S/C10H18O2S/c1-3-7-12-9(2)10-6-4-5-8-13(10)11/h3,7,9-10H,4-6,8H2,1-2H3/b7-3+.
What are the key properties of 2-[1-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide?
2-[1-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide has a molecular weight of 202.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide is sourced from PubChem (CID 176603666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).