Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002023

Phytochemical name: 1-Propenyl allyl thiosulfinate

Synonymous chemical names:
1-propenyl-allyl-thiosulfinate, 1-propenyl allyl thiosulfinates

External chemical identifiers:
CID:CID_129704166

---

Chemical structure information

SMILES:
C=CCSS(=O)O/C=C/C

InChI:
InChI=1S/C6H10O2S2/c1-3-5-8-10(7)9-6-4-2/h3-5H,2,6H2,1H3/b5-3+

InChIKey:
WPDHUYWPDPXLNX-HWKANZROSA-N

DeepSMILES:
C=CCSS=O)O/C=C/C

Functional groups:
C=CC, C/C=C/OS(=O)SC

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Allyl sulfur compounds

NP-Likeness score: 1.032

---

Chemical structure download