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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:52221 - isothiocyanate
Main
ChEBI Ontology
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ChEBI Name
isothiocyanate
ChEBI ID
CHEBI:52221
Definition
An organosulfur compound with the general formula R‒N=C=S.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
Secondary ChEBI IDs
CHEBI:183101, CHEBI:24927, CHEBI:24929
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Wikipedia
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Read full article at Wikipedia
Formula
CNSR
Net Charge
0
Average Mass (excl. R groups)
58.084
Monoisotopic Mass (excl. R groups)
57.97515
SMILES
[*]N=C=S
ChEBI Ontology
Outgoing
isothiocyanate (
CHEBI:52221
)
has functional parent
isothiocyanic acid (
CHEBI:24928
)
isothiocyanate (
CHEBI:52221
)
is a
organosulfur compound (
CHEBI:33261
)
Incoming
(2
R
)-2-hydroxy-3-butenyl isothiocyanate (
CHEBI:183104
)
is a
isothiocyanate (
CHEBI:52221
)
(4-methoxyindol-3-ylmethyl)isothiocyanate (
CHEBI:136938
)
is a
isothiocyanate (
CHEBI:52221
)
(E)-4-Isothiocyanato-1-(methylthio)-1-butene (
CHEBI:169136
)
is a
isothiocyanate (
CHEBI:52221
)
1-isothiocyanato-6-(methylsulfanyl)hexane (
CHEBI:136921
)
is a
isothiocyanate (
CHEBI:52221
)
1-Isothiocyanato-7-(methylthio)heptane (
CHEBI:180375
)
is a
isothiocyanate (
CHEBI:52221
)
1-naphthyl isothiocyanate (
CHEBI:35455
)
is a
isothiocyanate (
CHEBI:52221
)
2-isothiocyanatoethyl phosphate (
CHEBI:131192
)
is a
isothiocyanate (
CHEBI:52221
)
3,4,5-trimethoxybenzyl isothiocyanate (
CHEBI:83650
)
is a
isothiocyanate (
CHEBI:52221
)
3-(isothiocyanatomethyl)-1-methoxyindole (
CHEBI:136932
)
is a
isothiocyanate (
CHEBI:52221
)
3-hydroxypropyl isothiocyanate (
CHEBI:183103
)
is a
isothiocyanate (
CHEBI:52221
)
4-isothiocyanato-1-butene (
CHEBI:138747
)
is a
isothiocyanate (
CHEBI:52221
)
4-isothiocyanatobenzoic acid (
CHEBI:64464
)
is a
isothiocyanate (
CHEBI:52221
)
5-isothiocyanato-1-pentene (
CHEBI:138749
)
is a
isothiocyanate (
CHEBI:52221
)
8-(methylsulfinyl)octyl isothiocyanate (
CHEBI:91152
)
is a
isothiocyanate (
CHEBI:52221
)
8-(methylthio)octylisothiocyanate (
CHEBI:136947
)
is a
isothiocyanate (
CHEBI:52221
)
alkenyl isothiocyanate (
CHEBI:183102
)
is a
isothiocyanate (
CHEBI:52221
)
allyl isothiocyanate (
CHEBI:73224
)
is a
isothiocyanate (
CHEBI:52221
)
amoscanate (
CHEBI:38944
)
is a
isothiocyanate (
CHEBI:52221
)
benzyl isothiocyanate (
CHEBI:17484
)
is a
isothiocyanate (
CHEBI:52221
)
Berteroin (
CHEBI:173803
)
is a
isothiocyanate (
CHEBI:52221
)
Bis(4-isothiocyanatobutyl) disulfide (
CHEBI:174771
)
is a
isothiocyanate (
CHEBI:52221
)
butyl isothiocyanate (
CHEBI:50534
)
is a
isothiocyanate (
CHEBI:52221
)
eosin 5-isothiocyanate (
CHEBI:60597
)
is a
isothiocyanate (
CHEBI:52221
)
Erucin (
CHEBI:180130
)
is a
isothiocyanate (
CHEBI:52221
)
ethyl isothiocyanate (
CHEBI:85098
)
is a
isothiocyanate (
CHEBI:52221
)
iberin (
CHEBI:89494
)
is a
isothiocyanate (
CHEBI:52221
)
isothiocyanato-Cyclohexane (
CHEBI:229386
)
is a
isothiocyanate (
CHEBI:52221
)
Isothiocyanatocyclopropane (
CHEBI:88382
)
is a
isothiocyanate (
CHEBI:52221
)
methyl isothiocyanate (
CHEBI:78337
)
is a
isothiocyanate (
CHEBI:52221
)
phenethyl isothiocyanate (
CHEBI:351346
)
is a
isothiocyanate (
CHEBI:52221
)
phenyl isothiocyanate (
CHEBI:85103
)
is a
isothiocyanate (
CHEBI:52221
)
rhodamine B isothiocyanate (
CHEBI:60604
)
is a
isothiocyanate (
CHEBI:52221
)
sulforaphane (
CHEBI:47807
)
is a
isothiocyanate (
CHEBI:52221
)
toluene
meta
-diisothiocyanate (
CHEBI:63897
)
is a
isothiocyanate (
CHEBI:52221
)
Synonyms
Sources
an isothiocyanate
UniProt
isothiocyanates
ChEBI
Manual Xrefs
Databases
Isothiocyanate
Wikipedia
ISOTHIOCYANATES
MetaCyc
View more database links
Citation
Last Modified
06 June 2022