Summary

IMPPAT Phytochemical identifier: IMPHY017497

Phytochemical name: 3,6-Dihydro-2H-thiopyran

Synonymous chemical names:
2h-thiopyran,5,6-dihydro

External chemical identifiers:
CID:567880, ZINC:ZINC000078067302, SureChEMBL:SCHEMBL1012959, MolPort-044-724-535

---

Chemical structure information

SMILES:
S1CCC=CC1

InChI:
InChI=1S/C5H8S/c1-2-4-6-5-3-1/h1-2H,3-5H2

InChIKey:
UNVYSECOIMWWKM-UHFFFAOYSA-N

DeepSMILES:
SCCC=CC6

Functional groups:
CC=CC, CSC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCSCC1

Scaffold Graph/Node level:
C1CCSCC1

Scaffold Graph level:
C1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Thiopyrans

NP-Likeness score: 0.635

---

Chemical structure download