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(S)-3-Methylthiohexyl butyrate

Properties

Image

Occurences in reactions

MNX_ID

MNXM115421

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₁H₂₂O₂S

charge

mass

218.13405

reference

InChIKey

CPZRKTMCYSRJPH-UHFFFAOYSA-N

InChI

InChI=1S/C11H22O2S/c1-4-6-10(14-3)8-9-13-11(12)7-5-2/h10H,4-9H2,1-3H3

SMILES

CCCC(=O)OCCC(CCC)SC

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:172006 chebi:172006	(S)-3-Methylthiohexyl butyrate 3-methylsulanylhexyl butanoate
hmdb:HMDB0038946	(S)-3-Methylthiohexyl butyrate (S)-3-Methylthiohexyl butyric acid 3-(Methylsulfanyl)hexyl butanoic acid 3-(Methylsulphanyl)hexyl butanoate 3-(Methylsulphanyl)hexyl butanoic acid 3-(methylsulfanyl)hexyl butanoate
hmdb:HMDB38946	secondary/obsolete/fantasy identifier