Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID009544

Phytochemical name: (E)-1-Propenyl sec-butyl disulfide

Synonymous chemical names:
e-1-propenyl sec-butyl disulfide, (e)-1-propenyl sec-butyl disulfide

External chemical identifiers:
CID:CID_91704044, ChEBI:CHEBI:166591, SureChEMBL:SCHEMBL3188734

---

Chemical structure information

SMILES:
C/C=C/SSC(CC)C

InChI:
InChI=1S/C7H14S2/c1-4-6-8-9-7(3)5-2/h4,6-7H,5H2,1-3H3/b6-4+

InChIKey:
IOVUOUZQSDBAQN-GQCTYLIASA-N

DeepSMILES:
C/C=C/SSCCC))C

Functional groups:
C/C=C/SSC

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Organic disulfides

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP-Likeness score: 2.096

---

Chemical structure download