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(Q104375706)
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3-thiocyanato-propene
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
99.01427016
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₄H₅NS
0 references
canonical SMILES
N#CSCC=C
0 references
found in taxon
Eutrema japonicum
1 reference
stated in
Allyl thiocyanate — Natural product or artifact in Crucifer extracts?
Brassica juncea
1 reference
stated in
Volatile constituents occurring in autolyzed leaves of three cruciferous vegetables.
Identifiers
InChI
InChI=1S/C4H5NS/c1-2-3-6-4-5/h2H,1,3H2
0 references
InChIKey
IFVYHJRLWCUVBB-UHFFFAOYSA-N
0 references
CAS Registry Number
764-49-8
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
69816
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IFVYHJRLWCUVBB-UHFFFAOYSA-N
ChEBI ID
183082
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C4H5NS/c1-2-3-6-4-5/h2H,1,3H2
UniChem compound ID
26878950
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00870765
1 reference
matched by identifier from
InChIKey
InChIKey
IFVYHJRLWCUVBB-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0029755
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IFVYHJRLWCUVBB-UHFFFAOYSA-N
KNApSAcK ID
C00054494
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IFVYHJRLWCUVBB-UHFFFAOYSA-N
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