2-{[(cyanoimino)(methylthio)methyl]amino}propane (CHEBI:228760)

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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	2-{[(cyanoimino)(methylthio)methyl]amino}propane

ChEBI ID	CHEBI:228760

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C6H11N3S

Net Charge

Average Mass

157.240

Monoisotopic Mass

157.06737

InChI

InChI=1S/C6H11N3S/c1-5(2)9-6(10-3)8-4-7/h5H,1-3H3,(H,8,9)

InChIKey

BRDZPPATOYKRKL-UHFFFAOYSA-N

SMILES

S(/C(=N\C(C)C)/NC#N)C

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: MetaboLights Study

ChEBI Ontology
Outgoing	2-{[(cyanoimino)(methylthio)methyl]amino}propane (CHEBI:228760) is a imidothiocarbamic ester (CHEBI:38914)

IUPAC Name

methyl N-cyano-N'-propan-2-ylcarbamimidothioate