Summary

IMPPAT Phytochemical identifier: IMPHY007343

Phytochemical name: S-Methyl methanesulfinothioate

Synonymous chemical names:
s-methyl methanethiosulfinate

External chemical identifiers:
CID:95200, ChEMBL:CHEMBL403038, SureChEMBL:SCHEMBL862565

---

Chemical structure information

SMILES:
CSS(=O)C

InChI:
InChI=1S/C2H6OS2/c1-4-5(2)3/h1-2H3

InChIKey:
RRGUMJYEQDVBFP-UHFFFAOYSA-N

DeepSMILES:
CSS=O)C

Functional groups:
CSS(C)=O

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Thiosulfinic acid esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP-Likeness score: 0.466

---

Chemical structure download