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2-vinyl-4H-1,3,-dithiin
ScientificNameLabel
2-vinyl-4H-1,3,-dithiin
PHCD compound ID :
3388
Chemical Names :
2-vinyl-[4H]-1,3-dithiin- , 2-vinyl-4H-1,3,-dithiin
Molecular Formula :
C6H8S2
Molecular Weight :
144.006742
More Details :
Names & Synonyms:
2-vinyl-4H-1,3-dithiine , 2-ethenyl-4H-1,3-dithiin , 2-ethenyl-4H-1,3-dithiine , 2-vinyl-4H-1,3-dithiin
Smiles:
C=C[C@H]1SCC=CS1
InChi :
InChI=1S/C6H8S2/c1-2-6-7-4-3-5-8-6/h2-4,6H,1,5H2/t6-/m1/s1
InChi Key :
InChIKey=XUKBDTUPIIADOP-ZCFIWIBFSA-N
PubChem ID :
133337
Rotatable bond count :
1
Rule of five :
0
Hydrogen bond acceptor count :
0
Ionization potential :
8.547289
Hydrogen bond donor count :
0
Electric dipole moment :
1.525
XLogP :
2.077
VDW volume :
131.721038
Molecular weight :
144.006742
HOMO-LUMO gap :
8.258000
Herb list :
Garlic - Allium sativum - سیر
Refrences & Litretures:
468. Journal:'IOSR-JESTFT' Year:'2013' Volume:'3' Page:'30' DOI:'' Title:'Chemical composition and biological activity of Allium sativum essential oils against Callosobruchus maculatus'
470. Journal:'J Food Sci' Year:'2012' Volume:'77' Page:'M278' DOI:'10.1111/j.1750-3841.2012.02662.x' Title:'Effects of Onion (Allium cepa L.) and Garlic (Allium sativum L.) Essential Oils on the Aspergillus versicolor Growth and Sterigmatocystin Production'
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