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CHEBI:81933 - methasulfocarb

ChEBI IDCHEBI:81933
ChEBI Namemethasulfocarb
Stars
DefinitionA monothiocarbamic ester that is phenyl methanesulfonate in which the hydrogen at position 4 is replaced by a (methylcarbamoyl)sulfanediyl group. It is a fungicide used for the treatment of a range of fungal diseases in rice.
Last Modified20 October 2014
DownloadsMolfile
FormulaC9H11NO4S2
Net Charge0
Average Mass261.324
Monoisotopic Mass261.01295
SMILESCNC(=O)Sc1ccc(OS(C)(=O)=O)cc1
InChIInChI=1S/C9H11NO4S2/c1-10-9(11)15-8-5-3-7(4-6-8)14-16(2,12)13/h3-6H,1-2H3,(H,10,11)
InChIKeyIXJOSTZEBSTPAG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
methasulfocarb (CHEBI:81933) is a methanesulfonate ester (CHEBI:25223)
methasulfocarb (CHEBI:81933) is a monothiocarbamic ester (CHEBI:38128)
IUPAC Name 
4-[(methylcarbamoyl)sulfanyl]phenyl methanesulfonate
Synonyms  Source
méthasulfocarbChEBI
S-[4-[(methylsulfonyl)oxy]phenyl] N-methylcarbamothioateAlan Wood's Pesticides
S-[4-(methanesulfonyloxy)phenyl] methylcarbamothioateAlan Wood's Pesticides
S-4-(mesyloxy)phenyl methyl(thiocarbamate)Alan Wood's Pesticides
NK-191ChemIDplus
Brand Name  Source
KayabestChemIDplus
Manual XrefsDatabases
C18746KEGG COMPOUND
methasulfocarbAlan Wood's Pesticides
1218PPDB
Registry NumbersSources
CAS:66952-49-6KEGG COMPOUND
CAS:66952-49-6ChemIDplus