Identification Chemical Properties Hazard Information Supplier

1014692-62-6

Name Ademetionine 1,4-butanedisulfonate
CAS 1014692-62-6
Molecular Formula C10H7ClN2S
Molecular Weight 222.69
MOL File 1014692-62-6.mol
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Chemical Properties

Boiling point  389.3±37.0 °C(Predicted)
density  1.38±0.1 g/cm3(Predicted)
pka 1.13±0.40(Predicted)
InChI InChI=1S/C10H7ClN2S/c1-5-6(2)14-10-8(5)9(11)7(3-12)4-13-10/h4H,1-2H3
InChIKey APSQWHAHUIGFLU-UHFFFAOYSA-N
SMILES C12SC(C)=C(C)C1=C(Cl)C(C#N)=CN=2

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