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CHEBI:757016 - 4-isothioureidobutyronitrile

Default Structure
ChEBI IDCHEBI:757016
ChEBI Name4-isothioureidobutyronitrile
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC5H9N3S
Net Charge0
Average Mass143.215
Monoisotopic Mass143.05172
SMILESN#CCCCSC(=N)N
InChIInChI=1S/C5H9N3S/c6-3-1-2-4-9-5(7)8/h1-2,4H2,(H3,7,8)
InChIKeyPRDJGNVQBVXXEO-UHFFFAOYSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
4-isothioureidobutyronitrile (CHEBI:757016) has role antineoplastic agent (CHEBI:35610)
4-isothioureidobutyronitrile (CHEBI:757016) is a imidothiocarbamic ester (CHEBI:38914)
Synonyms  Source
4-isothioureidobutyronitrileChEMBL
KevetrinChEMBL
NSC-525990ChEMBL
ThioureidobutyronitrileChEMBL