CHEBI:138800 - 1-isothiocyanato-7-(methylsulfinyl)heptane

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-isothiocyanato-7-(methylsulfinyl)heptane
ChEBI ID CHEBI:138800
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C9H17NOS2
Net Charge 0
Average Mass 219.370
Monoisotopic Mass 219.07516
InChI InChI=1S/C9H17NOS2/c1-13(11)8-6-4-2-3-5-7-10-9-12/h2-8H2,1H3
InChIKey OGYHCBGORZWBPH-UHFFFAOYSA-N
SMILES S(=O)(CCCCCCCN=C=S)C
ChEBI Ontology
Outgoing 1-isothiocyanato-7-(methylsulfinyl)heptane (CHEBI:138800) is a sulfoxide (CHEBI:22063)
Synonym Source
7-methylsulfinylheptyl isothiocyanate ChEBI
Manual Xref Database
8013088 ChemSpider
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Last Modified
31 January 2019