(E)-1-ethylsulfanyl-4-ethylsulfinylbut-2-ene

C8H16OS2 — CID 59288249

IUPAC(E)-1-ethylsulfanyl-4-ethylsulfinylbut-2-ene
SMILESCCSC/C=C/CS(=O)CC
InChIInChI=1S/C8H16OS2/c1-3-10-7-5-6-8-11(9)4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5+
InChIKeyCHYVVAMTYVBZAA-AATRIKPKSA-N
MW192.35 g/mol
LogP2.06
Rot. Bonds6

About (E)-1-ethylsulfanyl-4-ethylsulfinylbut-2-ene

(E)-1-ethylsulfanyl-4-ethylsulfinylbut-2-ene (PubChem CID 59288249) has the molecular formula C8H16OS2 and a molecular weight of 192.35 g/mol. Its IUPAC name is (E)-1-ethylsulfanyl-4-ethylsulfinylbut-2-ene.

Molecular Properties

Compound Name(E)-1-ethylsulfanyl-4-ethylsulfinylbut-2-ene
PubChem CID59288249
Molecular FormulaC8H16OS2
Molecular Weight192.35 g/mol
Exact Mass192.06
IUPAC Name(E)-1-ethylsulfanyl-4-ethylsulfinylbut-2-ene
SMILESCCSC/C=C/CS(=O)CC
InChIInChI=1S/C8H16OS2/c1-3-10-7-5-6-8-11(9)4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5+
InChIKeyCHYVVAMTYVBZAA-AATRIKPKSA-N
XLogP2.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-ethylsulfanylbut-2-enal
CID 175388020
2-ethylsulfanylacetaldehyde
CID 12726335
4-ethylsulfanyl-1,1,1-trifluorobut-2-ene
CID 91312736
1-ethylsulfanylpropan-2-one;1-ethylsulfinylpropan-2-one
CID 161323393
sodium ethanesulfinic acid
CID 19960758
3-ethylsulfanylprop-1-en-1-one
CID 21120216
(E)-1-(methyldisulfanyl)-4-methylsulfinylbut-2-ene
CID 23573880
(2E,6Z,9Z,12Z,15Z)-1-ethylsulfanyloctadeca-2,6,9,12,15-pentaene;(3Z,6Z,9Z,12Z,15Z)-1-ethylsulfanyloctadeca-3,6,9,12,15-pentaene
CID 159174808
diethyl [(E)-3-ethylsulfanylprop-1-enyl] phosphate
CID 6444524
1-(methylsulfanylmethylsulfinyl)ethane
CID 24977145
5-bromo-4-chloro-1-ethylsulfanyl-4,5,5-trifluoropent-2-ene
CID 91115113
(E)-3-prop-2-enylsulfinyl-1-propylsulfinylprop-1-ene
CID 6367006

Frequently Asked Questions

What is the IUPAC name of (E)-1-ethylsulfanyl-4-ethylsulfinylbut-2-ene?
The IUPAC name of (E)-1-ethylsulfanyl-4-ethylsulfinylbut-2-ene (CID 59288249) is (E)-1-ethylsulfanyl-4-ethylsulfinylbut-2-ene.
What is the SMILES notation for (E)-1-ethylsulfanyl-4-ethylsulfinylbut-2-ene?
The canonical SMILES for (E)-1-ethylsulfanyl-4-ethylsulfinylbut-2-ene is CCSC/C=C/CS(=O)CC.
What is the InChIKey of (E)-1-ethylsulfanyl-4-ethylsulfinylbut-2-ene?
The InChIKey is CHYVVAMTYVBZAA-AATRIKPKSA-N. The full InChI is InChI=1S/C8H16OS2/c1-3-10-7-5-6-8-11(9)4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5+.
What are the key properties of (E)-1-ethylsulfanyl-4-ethylsulfinylbut-2-ene?
(E)-1-ethylsulfanyl-4-ethylsulfinylbut-2-ene has a molecular weight of 192.35 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-ethylsulfanyl-4-ethylsulfinylbut-2-ene is sourced from PubChem (CID 59288249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).