Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001867

Phytochemical name: Allyl methyl trisulfide

Synonymous chemical names:
allylmethyl trisulphides, allylmethyl mono-, di and trisulphides, methyl allyl trisulfide, allyl methyl trisulphide, allyl methyl trisulfidea, allyl methyl trisulfidea, trisulfide, methyl 2-propenyl, methylallyl trisulphide, allyl methyl trisulfide

External chemical identifiers:
CID:CID_61926, ZINC:ZINC000001850544, FDASRS:983O8ZL28A, SureChEMBL:SCHEMBL534079

---

Chemical structure information

SMILES:
CSSSCC=C

InChI:
InChI=1S/C4H8S3/c1-3-4-6-7-5-2/h3H,1,4H2,2H3

InChIKey:
JGMPRNFEEAJLAJ-UHFFFAOYSA-N

DeepSMILES:
CSSSCC=C

Functional groups:
CSSSC, C=CC

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Organic trisulfides

NP-Likeness score: 2.315

---

Chemical structure download