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ScientificNameLabel
thymine
PHCD compound ID : 715
Chemical Names :
thymine , Thymene
Molecular Formula : C5H6N2O2
Molecular Weight : 126.042927
More Details :
Names & Synonyms: 5-methyl-1H-pyrimidine-2,4-dione , thymine
Smiles: Cc1c[nH]c(=O)[nH]c1=O
InChi : InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
InChi Key : InChIKey=RWQNBRDOKXIBIV-UHFFFAOYSA-N
PubChem ID : 1135
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.716937
Hydrogen bond donor count : 2 Electric dipole moment : 4.414
XLogP : -0.694 VDW volume : 114.344521
Molecular weight : 126.042927 HOMO-LUMO gap : 9.129000
Herb list :
Refrences & Litretures:
  
46.      Journal:'J. Agric. Food Chem'      Year:'2006'      Volume:'54'      Page:'8301'      DOI:'10.1021/jf0615451'      Title:'Metabolite Profiling of Wheat Grains (Triticum aestivum L.) from Organic and Conventional Agriculture'
204.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2015'      Volume:'18'      Page:'208'      DOI:'10.1080/0972060X.2014.976665'      Title:'Evaluation of Chemical Composition and Antimicrobial Activity of Vitex agnus castus L. Fruits’ Essential Oils from West Anatolia, Turkey'
309.      Journal:'BioMed Research International'      Year:'2015'      Volume:''      Page:'925631'      DOI:'10.1155/2015/925631'      Title:'Portulaca oleracea L.: A Review of Phytochemistry and Pharmacological Effects'
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