(Z)-1-ethoxy-1-ethylsulfanylprop-1-ene

C7H14OS — CID 134987287

IUPAC(Z)-1-ethoxy-1-ethylsulfanylprop-1-ene
SMILESC/C=C(/OCC)SCC
InChIInChI=1S/C7H14OS/c1-4-7(8-5-2)9-6-3/h4H,5-6H2,1-3H3/b7-4-
InChIKeyCXQRGHDHUMPKSE-DAXSKMNVSA-N
MW146.25 g/mol
LogP2.64
Rot. Bonds4

About (Z)-1-ethoxy-1-ethylsulfanylprop-1-ene

(Z)-1-ethoxy-1-ethylsulfanylprop-1-ene (PubChem CID 134987287) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is (Z)-1-ethoxy-1-ethylsulfanylprop-1-ene.

Molecular Properties

Compound Name(Z)-1-ethoxy-1-ethylsulfanylprop-1-ene
PubChem CID134987287
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name(Z)-1-ethoxy-1-ethylsulfanylprop-1-ene
SMILESC/C=C(/OCC)SCC
InChIInChI=1S/C7H14OS/c1-4-7(8-5-2)9-6-3/h4H,5-6H2,1-3H3/b7-4-
InChIKeyCXQRGHDHUMPKSE-DAXSKMNVSA-N
XLogP2.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 52.64
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

5-Methyl-2,3-dihydro-1,4-oxathiine
CID 12602857
1-Ethoxy-1-(ethylthio)ethene
CID 14643086
(1E,3Z)-1-methoxy-4-methylsulfanylbuta-1,3-diene
CID 102331103
(Z)-1-ethoxyprop-1-ene-1-thiolate
CID 134871897
2-(Prop-1-enoxymethyl)thiirane
CID 57240713
(2Z)-2-ethylidene-1,3-oxathiolane
CID 57901503
3,5-Dimethyl-2,3-dihydro-1,4-oxathiine
CID 58183606
1-Methoxy-1-methylsulfanylprop-1-ene
CID 73828511
2-Ethylidene-1,3-oxathiolane
CID 76636250
2-[[(E)-prop-1-enoxy]methyl]thiirane
CID 88775215
3-Methylsulfanyl-1-propoxyprop-1-ene
CID 123221448
5-Ethoxy-2,3-dihydrothiophene
CID 141120797

Frequently Asked Questions

What is the IUPAC name of (Z)-1-ethoxy-1-ethylsulfanylprop-1-ene?
The IUPAC name of (Z)-1-ethoxy-1-ethylsulfanylprop-1-ene (CID 134987287) is (Z)-1-ethoxy-1-ethylsulfanylprop-1-ene.
What is the SMILES notation for (Z)-1-ethoxy-1-ethylsulfanylprop-1-ene?
The canonical SMILES for (Z)-1-ethoxy-1-ethylsulfanylprop-1-ene is C/C=C(/OCC)SCC.
What is the InChIKey of (Z)-1-ethoxy-1-ethylsulfanylprop-1-ene?
The InChIKey is CXQRGHDHUMPKSE-DAXSKMNVSA-N. The full InChI is InChI=1S/C7H14OS/c1-4-7(8-5-2)9-6-3/h4H,5-6H2,1-3H3/b7-4-.
What are the key properties of (Z)-1-ethoxy-1-ethylsulfanylprop-1-ene?
(Z)-1-ethoxy-1-ethylsulfanylprop-1-ene has a molecular weight of 146.25 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-ethoxy-1-ethylsulfanylprop-1-ene is sourced from PubChem (CID 134987287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).