CHEBI:52221 - isothiocyanate

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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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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 (2R)-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
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Last Modified
06 June 2022