CHEBI:80856 - Axisothiocyanate 3

ChEBI IDCHEBI:80856
ChEBI NameAxisothiocyanate 3
Stars
DownloadsMolfile
FormulaC16H25NS
Net Charge0
Average Mass263.450
Monoisotopic Mass263.17077
SMILESCC1=C[C@]2(CC1)[C@H](C)CC[C@@H](C(C)C)[C@H]2N=C=S
InChIInChI=1S/C16H25NS/c1-11(2)14-6-5-13(4)16(15(14)17-10-18)8-7-12(3)9-16/h9,11,13-15H,5-8H2,1-4H3/t13-,14+,15-,16-/m1/s1
InChIKeyQEUKPIZJCSOXDW-QKPAOTATSA-N
ChEBI Ontology
Outgoing Relation(s)
Axisothiocyanate 3 (CHEBI:80856) is a p-menthane monoterpenoid (CHEBI:25186)
Manual XrefsDatabases
C00021647KNApSAcK
C17007KEGG COMPOUND
Registry NumbersSources
CAS:59633-81-7KEGG COMPOUND