Details
Stereochemistry | ACHIRAL |
Molecular Formula | C6H12O2S |
Molecular Weight | 148.223 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)(S)CCOC=O
InChI
InChIKey=VTAPYUYITKYXJB-UHFFFAOYSA-N
InChI=1S/C6H12O2S/c1-6(2,9)3-4-8-5-7/h5,9H,3-4H2,1-2H3
Molecular Formula | C6H12O2S |
Molecular Weight | 148.223 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
PubMed
Title | Date | PubMed |
---|---|---|
Effect of pH on the thermal stability of potent roasty odorants, 3-mercapto-3-methylbutyl esters, in coffee drink. | 2003 Dec 31 |
|
Identification of odor-active 3-mercapto-3-methylbutyl acetate in volatile fraction of roasted coffee brew isolated by steam distillation under reduced pressure. | 2003 May 7 |
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 18:38:09 GMT 2023
by
admin
on
Fri Dec 15 18:38:09 GMT 2023
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Record UNII |
52GQ058752
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Record Status |
Validated (UNII)
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Record Version |
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52GQ058752
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50746-10-6
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526487
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