CDK     1023151747

  8  8  0  0  0  0  0  0  0  0999 V2000
    1.2822    2.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1467    2.3518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0  0  0  0 
  4  1  1  0  0  0  0 
  5  4  1  0  0  0  0 
  6  2  1  0  0  0  0 
  6  5  2  0  0  0  0 
  7  4  2  0  0  0  0 
  8  3  1  0  0  0  0 
  8  5  1  0  0  0  0 
M  END
> <ID>
CHEBI:89714

> <NAME>
2-Acetyl-4,5-dihydrothiazole

> <STAR>
2

> <SYNONYM>
Methyl 2-thiazolin-2-yl ketone, 8CI; FEMA 3817; Acetylthiazoline; 2-Thiazoline, 2-acetyl; 2-Acetylthiazoline; 2-Acetyl-2-thiazoline; 1-(4,5-Dihydro-2-thiazolyl)ethanone, 9CI; 1-(4,5-Dihydro-2-thiazolyl)-Ethanone; 1-(4,5-Dihydro-1,3-thiazol-2-yl)ethanone; 1-(4,5-dihydro-1,3-thiazol-2-yl)ethan-1-one

> <FORMULA>
C5H7NOS

> <MASS>
129.181

> <MONOISOTOPIC_MASS>
129.02484

> <CHARGE>
0

> <SMILES>
CC(C1=NCCS1)=O

> <INCHI>
InChI=1S/C5H7NOS/c1-4(7)5-6-2-3-8-5/h2-3H2,1H3

> <INCHIKEY>
FZOZFDAMVVEZSJ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
29926-41-8

> <PUBMED_CITATION>
17314143

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