Summary

IMPPAT Phytochemical identifier: IMPHY009657

Phytochemical name: 2-Ethylthiophene

Synonymous chemical names:
2-ethyl-thiophene

External chemical identifiers:
CID:13388, ZINC:ZINC000002005192, FDASRS:E5616Q8745, SureChEMBL:SCHEMBL91161, MolPort-000-155-381

---

Chemical structure information

SMILES:
CCc1cccs1

InChI:
InChI=1S/C6H8S/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3

InChIKey:
JCCCMAAJYSNBPR-UHFFFAOYSA-N

DeepSMILES:
CCccccs5

Functional groups:
csc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccsc1

Scaffold Graph/Node level:
C1CCSC1

Scaffold Graph level:
C1CCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Heteroaromatic compounds

NP-Likeness score: -2.729

---

Chemical structure download