3-[2-[(Z)-2-phenylprop-1-enoxy]ethyl]thiolane 1-oxide

C15H20O2S — CID 176604214

IUPAC3-[2-[(Z)-2-phenylprop-1-enoxy]ethyl]thiolane 1-oxide
SMILESC/C(=C/OCCC1CCS(=O)C1)c1ccccc1
InChIInChI=1S/C15H20O2S/c1-13(15-5-3-2-4-6-15)11-17-9-7-14-8-10-18(16)12-14/h2-6,11,14H,7-10,12H2,1H3/b13-11-
InChIKeyPRNJCQQZDAFKGS-QBFSEMIESA-N
MW264.39 g/mol
LogP3.22
Rot. Bonds5

About 3-[2-[(Z)-2-phenylprop-1-enoxy]ethyl]thiolane 1-oxide

3-[2-[(Z)-2-phenylprop-1-enoxy]ethyl]thiolane 1-oxide (PubChem CID 176604214) has the molecular formula C15H20O2S and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-[2-[(Z)-2-phenylprop-1-enoxy]ethyl]thiolane 1-oxide.

Molecular Properties

Compound Name3-[2-[(Z)-2-phenylprop-1-enoxy]ethyl]thiolane 1-oxide
PubChem CID176604214
Molecular FormulaC15H20O2S
Molecular Weight264.39 g/mol
Exact Mass264.12
IUPAC Name3-[2-[(Z)-2-phenylprop-1-enoxy]ethyl]thiolane 1-oxide
SMILESC/C(=C/OCCC1CCS(=O)C1)c1ccccc1
InChIInChI=1S/C15H20O2S/c1-13(15-5-3-2-4-6-15)11-17-9-7-14-8-10-18(16)12-14/h2-6,11,14H,7-10,12H2,1H3/b13-11-
InChIKeyPRNJCQQZDAFKGS-QBFSEMIESA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.22
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-[3-[(Z)-2-phenylprop-1-enoxy]propyl]thiirane 1-oxide
CID 176603220
2-[3-[(Z)-2-phenylprop-1-enoxy]propyl]thiocane 1-oxide
CID 176603526
3-methyl-3-[[(Z)-2-phenylprop-1-enoxy]methyl]thietane 1-oxide
CID 176604573
4-[[(Z)-2-phenylprop-1-enoxy]methyl]oxane
CID 176604802
1-[(Z)-hex-3-enoxy]prop-1-en-2-ylbenzene
CID 155674731
2-methyl-2-[2-[(Z)-2-phenylprop-1-enoxy]ethyl]thiirane
CID 176604237
4-[[(Z)-2-phenylprop-1-enoxy]methyl]-11-thiatricyclo[6.2.1.02,7]undecane
CID 176603843
1-[(E)-but-2-en-2-yl]-3-[(E)-1-[2-(2-propoxyethoxy)ethoxy]prop-1-en-2-yl]benzene;ethane
CID 156647431
(1R,3R)-3-butylthiolane 1-oxide
CID 57484456
1,4-bis[1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-yl]benzene
CID 158088780
2-ethyl-2-[[(Z)-2-phenylprop-1-enoxy]methyl]-7-thiabicyclo[2.2.1]heptane
CID 176603329
2-(2-butoxyethoxy)ethanol;1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene;2-phenylpropanal
CID 158022987

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(Z)-2-phenylprop-1-enoxy]ethyl]thiolane 1-oxide?
The IUPAC name of 3-[2-[(Z)-2-phenylprop-1-enoxy]ethyl]thiolane 1-oxide (CID 176604214) is 3-[2-[(Z)-2-phenylprop-1-enoxy]ethyl]thiolane 1-oxide.
What is the SMILES notation for 3-[2-[(Z)-2-phenylprop-1-enoxy]ethyl]thiolane 1-oxide?
The canonical SMILES for 3-[2-[(Z)-2-phenylprop-1-enoxy]ethyl]thiolane 1-oxide is C/C(=C/OCCC1CCS(=O)C1)c1ccccc1.
What is the InChIKey of 3-[2-[(Z)-2-phenylprop-1-enoxy]ethyl]thiolane 1-oxide?
The InChIKey is PRNJCQQZDAFKGS-QBFSEMIESA-N. The full InChI is InChI=1S/C15H20O2S/c1-13(15-5-3-2-4-6-15)11-17-9-7-14-8-10-18(16)12-14/h2-6,11,14H,7-10,12H2,1H3/b13-11-.
What are the key properties of 3-[2-[(Z)-2-phenylprop-1-enoxy]ethyl]thiolane 1-oxide?
3-[2-[(Z)-2-phenylprop-1-enoxy]ethyl]thiolane 1-oxide has a molecular weight of 264.39 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(Z)-2-phenylprop-1-enoxy]ethyl]thiolane 1-oxide is sourced from PubChem (CID 176604214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).