Summary

IMPPAT Phytochemical identifier: IMPHY004527

Phytochemical name: Amyl methyl disulfide

Synonymous chemical names:
me thioether-1-pentanesulfenothioic acid

External chemical identifiers:
CID:522459, ChEBI:167086, ZINC:ZINC000014649287, FDASRS:ES6A12WT0E, SureChEMBL:SCHEMBL3379235

---

Chemical structure information

SMILES:
CCCCCSSC

InChI:
InChI=1S/C6H14S2/c1-3-4-5-6-8-7-2/h3-6H2,1-2H3

InChIKey:
VDJXDNLYBDHPHP-UHFFFAOYSA-N

DeepSMILES:
CCCCCSSC

Functional groups:
CSSC

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Organic disulfides

ClassyFire Subclass: Dialkyldisulfides

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 0.535

---

Chemical structure download