1-ethenoxy-3-ethylsulfanylpropane

C7H14OS — CID 102248161

IUPAC1-ethenoxy-3-ethylsulfanylpropane
SMILESC=COCCCSCC
InChIInChI=1S/C7H14OS/c1-3-8-6-5-7-9-4-2/h3H,1,4-7H2,2H3
InChIKeyYQZUTJPQWARXEX-UHFFFAOYSA-N
MW146.25 g/mol
LogP2.29
Rot. Bonds6

About 1-ethenoxy-3-ethylsulfanylpropane

1-ethenoxy-3-ethylsulfanylpropane (PubChem CID 102248161) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 1-ethenoxy-3-ethylsulfanylpropane.

Molecular Properties

Compound Name1-ethenoxy-3-ethylsulfanylpropane
PubChem CID102248161
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name1-ethenoxy-3-ethylsulfanylpropane
SMILESC=COCCCSCC
InChIInChI=1S/C7H14OS/c1-3-8-6-5-7-9-4-2/h3H,1,4-7H2,2H3
InChIKeyYQZUTJPQWARXEX-UHFFFAOYSA-N
XLogP2.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 52.29
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

Ether, 2-(ethylthio)ethyl vinyl
CID 29044
Sulfide, methylvinyloxyethyl-
CID 81083
2-(Butylthio)ethyl vinyl ether
CID 23089
(E)-1-Ethoxy-2-(ethylthio)ethene
CID 5463286
((2-(Ethenyloxy)ethyl)thio)ethene
CID 13149756
2-Methoxyethyl vinyl sulfide
CID 15908675
3-Methyl-2,3-dihydro-1,4-oxathiine
CID 58183442
1-Ethoxy-2-ethylthioethene
CID 143081
1-Ethoxy-1-(ethylthio)ethene
CID 14643086
2,2-Bis(butylthio)propyl vinyl ether
CID 129808499
2-(t-Butylthio)ethyl vinyl ether
CID 163203730
1-(3-Ethenoxypropylsulfanyl)-2,2-dimethylpropane
CID 18539658

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-3-ethylsulfanylpropane?
The IUPAC name of 1-ethenoxy-3-ethylsulfanylpropane (CID 102248161) is 1-ethenoxy-3-ethylsulfanylpropane.
What is the SMILES notation for 1-ethenoxy-3-ethylsulfanylpropane?
The canonical SMILES for 1-ethenoxy-3-ethylsulfanylpropane is C=COCCCSCC.
What is the InChIKey of 1-ethenoxy-3-ethylsulfanylpropane?
The InChIKey is YQZUTJPQWARXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-3-8-6-5-7-9-4-2/h3H,1,4-7H2,2H3.
What are the key properties of 1-ethenoxy-3-ethylsulfanylpropane?
1-ethenoxy-3-ethylsulfanylpropane has a molecular weight of 146.25 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-3-ethylsulfanylpropane is sourced from PubChem (CID 102248161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).