Summary

IMPPAT Phytochemical identifier: IMPHY016144

Phytochemical name: Disulfide, 1-methylpropyl propyl

Synonymous chemical names:
1-methyl propyl propyl disulfide

External chemical identifiers:
CID:521902, SureChEMBL:SCHEMBL20858115

---

Chemical structure information

SMILES:
CCCSSC(CC)C

InChI:
InChI=1S/C7H16S2/c1-4-6-8-9-7(3)5-2/h7H,4-6H2,1-3H3

InChIKey:
KHTNPVYWCGRQEA-UHFFFAOYSA-N

DeepSMILES:
CCCSSCCC))C

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: 1.021

---

Chemical structure download