1-Thiocyanato-4-(methylthio)butane (CHEBI:180129)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	1-Thiocyanato-4-(methylthio)butane

ChEBI ID	CHEBI:180129

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C6H11NS2

Net Charge

Average Mass

161.280

Monoisotopic Mass

161.03329

InChI

InChI=1S/C6H11NS2/c1-8-4-2-3-5-9-6-7/h2-5H2,1H3

InChIKey

FUCWJZPPDWREHP-UHFFFAOYSA-N

SMILES

S(CCCCSC#N)C

ChEBI Ontology
Outgoing	1-Thiocyanato-4-(methylthio)butane (CHEBI:180129) is a thiocyanates (CHEBI:26955)

IUPAC Name

4-methylsulanylbutyl thiocyanate