CHEBI:78337 - methyl isothiocyanate

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ChEBI Name methyl isothiocyanate
ChEBI ID CHEBI:78337
Definition An isothiocyanate having a methyl group attached to the nitrogen. It is also the active nematicide of the pronematicide metam-sodium.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C2H3NS
Net Charge 0
Average Mass 73.11700
Monoisotopic Mass 72.999
InChI InChI=1S/C2H3NS/c1-3-2-4/h1H3
InChIKey LGDSHSYDSCRFAB-UHFFFAOYSA-N
SMILES CN=C=S
Roles Classification
Biological Role(s): lachrymator
Any substance that stimulates the corneal nerves in the eves to cause tears.
Application(s): fumigant
A volatile or volatilizable chemical compound utilized for control of pests in buildings, soil, grain, as well as during processing of goods to be imported or exported to prevent transfer of exotic organisms.
nematicide
A substance used to destroy pests of the phylum Nematoda (roundworms).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing methyl isothiocyanate (CHEBI:78337) has role fumigant (CHEBI:39276)
methyl isothiocyanate (CHEBI:78337) has role lachrymator (CHEBI:74136)
methyl isothiocyanate (CHEBI:78337) has role nematicide (CHEBI:25491)
methyl isothiocyanate (CHEBI:78337) is a isothiocyanate (CHEBI:52221)
IUPAC Name
isothiocyanatomethane
Synonyms Sources
Methyl mustard ChemIDplus
Methyl mustard oil ChemIDplus
Manual Xrefs Databases
887 PPDB
C18587 KEGG COMPOUND
HMDB0034106 HMDB
Methyl_isothiocyanate Wikipedia
View more database links
Registry Numbers Types Sources
556-61-6 CAS Registry Number NIST Chemistry WebBook
556-61-6 CAS Registry Number ChemIDplus
605319 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
20521729 PubMed citation Europe PMC
21780282 PubMed citation Europe PMC
24216433 PubMed citation Europe PMC
24370859 PubMed citation Europe PMC
25144617 PubMed citation Europe PMC
Last Modified
24 July 2018