ethenyl-methylidene-oxo-[(3E)-penta-1,3-dien-3-yl]-λ6-sulfane

C8H12OS — CID 123200149

IUPACethenyl-methylidene-oxo-[(3E)-penta-1,3-dien-3-yl]-λ6-sulfane
SMILESC=C/C(=C\C)S(=C)(=O)C=C
InChIInChI=1S/C8H12OS/c1-5-8(6-2)10(4,9)7-3/h5-7H,1,3-4H2,2H3/b8-6+
InChIKeyRSIZITNASKJNJI-SOFGYWHQSA-N
MW156.25 g/mol
LogP1.94
Rot. Bonds3

About ethenyl-methylidene-oxo-[(3E)-penta-1,3-dien-3-yl]-λ6-sulfane

ethenyl-methylidene-oxo-[(3E)-penta-1,3-dien-3-yl]-λ6-sulfane (PubChem CID 123200149) has the molecular formula C8H12OS and a molecular weight of 156.25 g/mol. Its IUPAC name is ethenyl-methylidene-oxo-[(3E)-penta-1,3-dien-3-yl]-λ6-sulfane.

Molecular Properties

Compound Nameethenyl-methylidene-oxo-[(3E)-penta-1,3-dien-3-yl]-λ6-sulfane
PubChem CID123200149
Molecular FormulaC8H12OS
Molecular Weight156.25 g/mol
Exact Mass156.06
IUPAC Nameethenyl-methylidene-oxo-[(3E)-penta-1,3-dien-3-yl]-λ6-sulfane
SMILESC=C/C(=C\C)S(=C)(=O)C=C
InChIInChI=1S/C8H12OS/c1-5-8(6-2)10(4,9)7-3/h5-7H,1,3-4H2,2H3/b8-6+
InChIKeyRSIZITNASKJNJI-SOFGYWHQSA-N
XLogP1.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

but-3-en-2-one;dimethyl-methylidene-oxo-λ6-sulfane
CID 159903560
(3E,5Z)-hepta-1,3,5-triene-3-sulfonic acid
CID 142823719
bis(1-ethenylsulfonylethene);methanol
CID 19939004
ethenesulfonic acid;2-methylbuta-1,3-diene
CID 162209988
sodium;prop-1-ene;sulfoazanide
CID 22369884
CID 157288290
CID 157288290
but-3-en-2-one;hydrochloride
CID 172746503
tris(but-3-en-2-one);tungsten
CID 54606302
1-[[(3E,5E)-hepta-1,3,5-trien-3-yl]-methylidene-oxo-λ6-sulfanyl]oxypropan-2-one
CID 157222187
(3R)-N,N-dimethyl-1-[(3E)-penta-1,3-dien-3-yl]sulfonylpyrrolidin-3-amine
CID 143369575
(3E)-hexa-1,3,5-triene-3-sulfonamide
CID 143985215
hydroxy-methyl-oxo-prop-2-enylidene-λ6-sulfane
CID 91525917

Frequently Asked Questions

What is the IUPAC name of ethenyl-methylidene-oxo-[(3E)-penta-1,3-dien-3-yl]-λ6-sulfane?
The IUPAC name of ethenyl-methylidene-oxo-[(3E)-penta-1,3-dien-3-yl]-λ6-sulfane (CID 123200149) is ethenyl-methylidene-oxo-[(3E)-penta-1,3-dien-3-yl]-λ6-sulfane.
What is the SMILES notation for ethenyl-methylidene-oxo-[(3E)-penta-1,3-dien-3-yl]-λ6-sulfane?
The canonical SMILES for ethenyl-methylidene-oxo-[(3E)-penta-1,3-dien-3-yl]-λ6-sulfane is C=C/C(=C\C)S(=C)(=O)C=C.
What is the InChIKey of ethenyl-methylidene-oxo-[(3E)-penta-1,3-dien-3-yl]-λ6-sulfane?
The InChIKey is RSIZITNASKJNJI-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H12OS/c1-5-8(6-2)10(4,9)7-3/h5-7H,1,3-4H2,2H3/b8-6+.
What are the key properties of ethenyl-methylidene-oxo-[(3E)-penta-1,3-dien-3-yl]-λ6-sulfane?
ethenyl-methylidene-oxo-[(3E)-penta-1,3-dien-3-yl]-λ6-sulfane has a molecular weight of 156.25 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-methylidene-oxo-[(3E)-penta-1,3-dien-3-yl]-λ6-sulfane is sourced from PubChem (CID 123200149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).