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(Q105168046)
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English
3-{[(1E)-prop-1-ene-1-sulfinyl]sulfanyl}prop-1-ene
group of stereoisomers with the chemical formula C₆H₁₀OS₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
162.01730694
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₆H₁₀OS₂
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canonical SMILES
[O-][S+](SCC=C)C=CC
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isomeric SMILES
C=CCSS(=O)/C=C/C
1 reference
based on heuristic
inferred from InChI
found in taxon
Garlic (allium sativum)
1 reference
stated in
The sapogenin atroviolacegenin and its diglycoside atroviolaceoside from Allium atroviolaceum.
Allium ursinum
1 reference
stated in
The sapogenin atroviolacegenin and its diglycoside atroviolaceoside from Allium atroviolaceum.
Identifiers
InChI
InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4,6H,1,5H2,2H3/b6-4+
0 references
InChIKey
MMTFXWIIILIGFN-GQCTYLIASA-N
0 references
CAS Registry Number
134595-70-3
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
58219317
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
32003136
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID801245308
1 reference
matched by identifier from
InChIKey
InChIKey
MMTFXWIIILIGFN-GQCTYLIASA-N
Human Metabolome Database ID
HMDB0032750
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MMTFXWIIILIGFN-GQCTYLIASA-N
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