Summary

IMPPAT Phytochemical identifier: IMPHY015937

Phytochemical name: S-Methyl thioacetate

Synonymous chemical names:
s-methyl thioacetate

External chemical identifiers:
CID:73750, ChEBI:51280, ZINC:ZINC000002004049, FDASRS:PF2D4MWX79, SureChEMBL:SCHEMBL394702, MolPort-006-113-372

---

Chemical structure information

SMILES:
CSC(=O)C

InChI:
InChI=1S/C3H6OS/c1-3(4)5-2/h1-2H3

InChIKey:
OATSQCXMYKYFQO-UHFFFAOYSA-N

DeepSMILES:
CSC=O)C

Functional groups:
CSC(C)=O

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Thiocarboxylic acids and derivatives

ClassyFire Subclass: Thioesters

NP-Likeness score: -0.095

---

Chemical structure download