Methylthiol acetate

ScientificNameLabel

Methylthiol acetate
PHCD compound ID :	2372
Chemical Names :	Methylthiol acetate
Molecular Formula :	C3H6O1S1
Molecular Weight :	90.013936

More Details :

Names & Synonyms:	S-methyl ethanethioate , ethanethioic acid S-methyl ester
Smiles:	CSC(=O)C
InChi :	InChI=1S/C3H6OS/c1-3(4)5-2/h1-2H3
InChi Key :	InChIKey=OATSQCXMYKYFQO-UHFFFAOYSA-N
PubChem ID :	73750

Rotatable bond count :	1	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	9.190556
Hydrogen bond donor count :	0	Electric dipole moment :	1.177
XLogP :	0.701	VDW volume :	85.107205
Molecular weight :	90.013936	HOMO-LUMO gap :	8.711000

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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