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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:78337 - methyl isothiocyanate
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ChEBI Ontology
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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.
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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
72.99862
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
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