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2,3,4,5-tetramethylthiophene
PHCD compound ID : 5301
Chemical Names :
2,3,4,5-tetramethylthiophene
Molecular Formula : C8H12S1
Molecular Weight : 140.065971
More Details :
Names & Synonyms: 2,3,4,5-tetramethylthiophene
Smiles: Cc1sc(c(c1C)C)C
InChi : InChI=1S/C8H12S/c1-5-6(2)8(4)9-7(5)3/h1-4H3
InChi Key : InChIKey=IYULAUPEFMQEKK-UHFFFAOYSA-N
PubChem ID : 139769
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 8.490681
Hydrogen bond donor count : 0 Electric dipole moment : 1.446
XLogP : 1.523 VDW volume : 136.903984
Molecular weight : 140.065971 HOMO-LUMO gap : 8.576000
Herb list :
Refrences & Litretures:
  
855.      Journal:'National Congress on Medicinal Plants'      Year:'2015'      Volume:''      Page:'645'      DOI:''      Title:'Chemical composition of the essential oil from stems, leaves and flowers of Ferula foetida (Bunge) Regel. From Iran'
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