Summary

IMPPAT Phytochemical identifier: IMPHY016221

Phytochemical name: 2-Butylthiophene

Synonymous chemical names:
2-butyl thiophene

External chemical identifiers:
CID:73818, ZINC:ZINC000002004015, SureChEMBL:SCHEMBL218485, MolPort-001-768-164

---

Chemical structure information

SMILES:
CCCCc1cccs1

InChI:
InChI=1S/C8H12S/c1-2-3-5-8-6-4-7-9-8/h4,6-7H,2-3,5H2,1H3

InChIKey:
MNDZHERKKXUTOE-UHFFFAOYSA-N

DeepSMILES:
CCCCccccs5

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: -2.272

---

Chemical structure download