Ethylthioethane

ScientificNameLabel

Ethylthioethane
PHCD compound ID :	2362
Chemical Names :	Ethylthioethane
Molecular Formula :	C4H10S1
Molecular Weight :	90.050321

More Details :

Names & Synonyms:	ethylsulfanylethane , (ethylthio)ethane
Smiles:	CCSCC
InChi :	InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3
InChi Key :	InChIKey=LJSQFQKUNVCTIA-UHFFFAOYSA-N
PubChem ID :	9609

Rotatable bond count :	2	Rule of five :	0
Hydrogen bond acceptor count :	0	Ionization potential :	8.383841
Hydrogen bond donor count :	0	Electric dipole moment :	1.764
XLogP :	2.027	VDW volume :	96.249421
Molecular weight :	90.050321	HOMO-LUMO gap :	8.693000

Herb list :

Strawberry - Fragaria vesca - توت فرنگی

Refrences & Litretures:


262. Journal:'J Sci Food Agric' Year:'1997' Volume:'74' Page:'421' DOI:'' Title:'Strawberry Flavour: Analysis and Biosynthesis'

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