Terminology Service for NFDI4Health
2,4-dinitro-1-thiocyanatobenzene
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http://purl.obolibrary.org/obo/CHEBI_53051
A thiocyanate compound having a 2,4-dinitrophenyl group attached to the sulfur atom.
Term info
Label
2,4-dinitro-1-thiocyanatobenzene
Synonyms
- 2,4-dinitrophenyl thiocyanate
Subsets
3_STAR
charge
0
formula
C7H3N3O4S
has obo namespace
chebi_ontology
has related synonym
2,4-Dinitrophenyl thiocyanate, 2,4-Dinitrothiocyanatobenzene, 2,4-Dinitrothiocyanobenzene, 2,4-Dinitro-rhodanbenzol, 2,4-Dinitro-1-thiocyanobenzene, 2,4-Dinitrothiocyanatebenzene, DNTB, 2,4-Dinitrophenylthiocyanate
id
CHEBI:53051
inchi
InChI=1S/C7H3N3O4S/c8-4-15-7-2-1-5(9(11)12)3-6(7)10(13)14/h1-3H
inchikey
XQDQRCRASHAZBA-UHFFFAOYSA-N
mass
225.18100
monoisotopicmass
224.98443
smiles
[O-][N+](=O)c1ccc(SC#N)c(c1)[N+]([O-])=O