CHEBI:138799 - 1-isothiocyanato-6-(methylsulfinyl)hexane

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-isothiocyanato-6-(methylsulfinyl)hexane
ChEBI ID CHEBI:138799
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C8H15NOS2
Net Charge 0
Average Mass 205.343
Monoisotopic Mass 205.05951
InChI InChI=1S/C8H15NOS2/c1-12(10)7-5-3-2-4-6-9-8-11/h2-7H2,1H3
InChIKey XQZVZULJKVALRI-UHFFFAOYSA-N
SMILES S(=O)(CCCCCCN=C=S)C
ChEBI Ontology
Outgoing 1-isothiocyanato-6-(methylsulfinyl)hexane (CHEBI:138799) is a sulfoxide (CHEBI:22063)
Synonym Source
6-(methylsulfinyl)hexyl isothiocyanate ChEBI
Manual Xrefs Databases
7991398 ChemSpider
HMDB0038461 HMDB
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Last Modified
23 October 2017