null
  CDK     0224162154
null
  9  9  0  0  0  0  0  0  0  0999 V2000
    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
    1.2352    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 S   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
   -0.0997    0.6294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0198    0.8843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6329    0.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4175    0.5872    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  2  1  0  0  0  0 
  3  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
M  END
> <ID>
CHEBI:92875

> <NAME>
5-(2-chloroethyl)-4-methylthiazole

> <STAR>
2

> <SYNONYM>
emineurina; distraneurin; clomethiazolum; clomethiazole edisilate; chlormethiazole hydrochloride; chlormethiazole HCl; chlormethiazole; chlormethiazol; chlorethiazole; chlorethiazol

> <FORMULA>
C6H8ClNS

> <MASS>
161.654

> <MONOISOTOPIC_MASS>
161.00660

> <CHARGE>
0

> <SMILES>
CC1=C(SC=N1)CCCl

> <INCHI>
InChI=1S/C6H8ClNS/c1-5-6(2-3-7)9-4-8-5/h4H,2-3H2,1H3

> <INCHIKEY>
PCLITLDOTJTVDJ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
533-45-9

> <LINCS_ACCESSION>
LSM-3110

$$$$