CHEBI:80856 - Axisothiocyanate 3

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ChEBI Name Axisothiocyanate 3
ChEBI ID CHEBI:80856
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C16H25NS
Net Charge 0
Average Mass 263.44100
Monoisotopic Mass 263.17077
InChI InChI=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
InChIKey QEUKPIZJCSOXDW-QKPAOTATSA-N
SMILES CC(C)[C@@H]1CC[C@@H](C)[C@]2(CCC(C)=C2)[C@@H]1N=C=S
ChEBI Ontology
Outgoing Axisothiocyanate 3 (CHEBI:80856) is a p-menthane monoterpenoid (CHEBI:25186)
Manual Xrefs Databases
C00021647 KNApSAcK
C17007 KEGG COMPOUND
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Registry Number Type Source
59633-81-7 CAS Registry Number KEGG COMPOUND