Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID005657

Phytochemical name: Methyl propyl sulfide

Synonymous chemical names:
methyl propyl sulphide, methyl propyl sulfide

External chemical identifiers:
CID:CID_19754, ChEBI:CHEBI:88383, ZINC:ZINC000002038334, FDASRS:NXA8RQ27B3, SureChEMBL:SCHEMBL125186

---

Chemical structure information

SMILES:
CCCSC

InChI:
InChI=1S/C4H10S/c1-3-4-5-2/h3-4H2,1-2H3

InChIKey:
ZOASGOXWEHUTKZ-UHFFFAOYSA-N

DeepSMILES:
CCCSC

Functional groups:
CSC

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Thioethers

ClassyFire Subclass: Dialkylthioethers

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: -0.997

---

Chemical structure download