Summary

IMPPAT Phytochemical identifier: IMPHY005281

Phytochemical name: 2,2':5',2''-Terthiophene, 5-methyl-

Synonymous chemical names:
5-methyl-2,2',2'',5'-terthiophene

External chemical identifiers:
CID:176446, SureChEMBL:SCHEMBL498537

---

Chemical structure information

SMILES:
Cc1ccc(s1)c1ccc(s1)c1cccs1

InChI:
InChI=1S/C13H10S3/c1-9-4-5-12(15-9)13-7-6-11(16-13)10-3-2-8-14-10/h2-8H,1H3

InChIKey:
VSQXFWPDQQZSOA-UHFFFAOYSA-N

DeepSMILES:
Cccccs5)ccccs5)ccccs5

Functional groups:
csc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1csc(-c2ccc(-c3cccs3)s2)c1

Scaffold Graph/Node level:
C1CSC(C2CCC(C3CCCS3)S2)C1

Scaffold Graph level:
C1CCC(C2CCC(C3CCCC3)C2)C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Bi- and oligothiophenes

NP-Likeness score: -1.265

---

Chemical structure download