Summary

IMPPAT Phytochemical identifier: IMPHY008697

Phytochemical name: 3,4-Dimethylthiophene

Synonymous chemical names:
3,4-dimethyl-thiophene, 3,4-dimethylthiophene, thiophene, 3-4-dimethyl

External chemical identifiers:
CID:79089, ChEBI:89511, ZINC:ZINC000002383464, FDASRS:96Q084Q43E, SureChEMBL:SCHEMBL129408, MolPort-001-761-261

---

Chemical structure information

SMILES:
Cc1cscc1C

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

InChIKey:
GPSFYJDZKSRMKZ-UHFFFAOYSA-N

DeepSMILES:
Cccscc5C

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: -0.778

---

Chemical structure download