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(Q105213336)
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English
1-{[(1E)-prop-1-ene-1-sulfinyl]sulfanyl}propane
group of stereoisomers with the chemical formula C₆H₁₂OS₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
164.032957004
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₆H₁₂OS₂
0 references
canonical SMILES
[O-][S+](SCCC)C=CC
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isomeric SMILES
C/C=C/S(=O)SCCC
1 reference
based on heuristic
inferred from InChI
found in taxon
Allium ascalonicum
1 reference
stated in
The sapogenin atroviolacegenin and its diglycoside atroviolaceoside from Allium atroviolaceum.
Allium cepa
1 reference
stated in
The sapogenin atroviolacegenin and its diglycoside atroviolaceoside from Allium atroviolaceum.
Welsh onion
1 reference
stated in
The sapogenin atroviolacegenin and its diglycoside atroviolaceoside from Allium atroviolaceum.
Allium ampeloprasum
1 reference
stated in
The sapogenin atroviolacegenin and its diglycoside atroviolaceoside from Allium atroviolaceum.
Allium obliquum
1 reference
stated in
The sapogenin atroviolacegenin and its diglycoside atroviolaceoside from Allium atroviolaceum.
Allium porrum
1 reference
stated in
The sapogenin atroviolacegenin and its diglycoside atroviolaceoside from Allium atroviolaceum.
Allium schoenoprasum
1 reference
stated in
The sapogenin atroviolacegenin and its diglycoside atroviolaceoside from Allium atroviolaceum.
Identifiers
InChI
InChI=1S/C6H12OS2/c1-3-5-8-9(7)6-4-2/h4,6H,3,5H2,1-2H3/b6-4+
0 references
InChIKey
PQPRIQKDDOEUMO-GQCTYLIASA-N
0 references
CAS Registry Number
143063-27-8
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
58219322
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PQPRIQKDDOEUMO-GQCTYLIASA-N
UniChem compound ID
43927995
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID501274047
1 reference
matched by identifier from
InChIKey
InChIKey
PQPRIQKDDOEUMO-GQCTYLIASA-N
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