CHEBI:138755 - 1-isothiocyanato-5-(methylsulfinyl)pentane

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ChEBI Name 1-isothiocyanato-5-(methylsulfinyl)pentane ChEBI ID CHEBI:138755 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C7H13NOS2 Net Charge 0 Average Mass 191.317 Monoisotopic Mass 191.04386 InChI InChI=1S/C7H13NOS2/c1-11(9)6-4-2-3-5-8-7-10/h2-6H2,1H3 InChIKey IUUQPVQTAUKPPB-UHFFFAOYSA-N SMILES CS(CCCCCN=C=S)=O ChEBI Ontology Outgoing 1-isothiocyanato-5-(methylsulfinyl)pentane (CHEBI:138755) is a sulfoxide (CHEBI:22063) Manual Xref Database 57643629 ChemSpider View more database links Last Modified 23 October 2017