Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C7H14O2S |
| Molecular Weight | 162.25 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(=O)OCCC(C)(C)S
InChI
InChIKey=HEZWKNVLHZGPOE-UHFFFAOYSA-N
InChI=1S/C7H14O2S/c1-6(8)9-5-4-7(2,3)10/h10H,4-5H2,1-3H3
| Molecular Formula | C7H14O2S |
| Molecular Weight | 162.25 |
| 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 |
|---|---|---|
| Odor detection of mixtures of homologous carboxylic acids and coffee aroma compounds by humans. | 2009-11-11 |
|
| Emergence of novel functions in transcriptional regulators by regression to stem protein types. | 2007-08 |
|
| Effect of pH on the thermal stability of potent roasty odorants, 3-mercapto-3-methylbutyl esters, in coffee drink. | 2003-12-31 |
|
| Identification of odor-active 3-mercapto-3-methylbutyl acetate in volatile fraction of roasted coffee brew isolated by steam distillation under reduced pressure. | 2003-05-07 |
Patents
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 20:07:21 GMT 2025
by
admin
on
Mon Mar 31 20:07:21 GMT 2025
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| Record UNII |
8A69461ME8
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| Record Status |
Validated (UNII)
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| Record Version |
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C474495
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DTXSID50198789
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50746-09-3
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8A69461ME8
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6420388
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1693
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