Identification Chemical Properties Hazard Information Supplier

7771-57-5

Name Thiamine Impurity 2
CAS 7771-57-5
Molecular Formula C11H15N4OS+
Molecular Weight 251.33
MOL File 7771-57-5.mol

Chemical Properties

InChI InChI=1S/C11H15N4OS/c1-8-10(2-3-16)17-7-15(8)5-9-4-13-6-14-11(9)12/h4,6-7,16H,2-3,5H2,1H3,(H2,12,13,14)/q+1
InChIKey PWMQZXCKDPDSPD-UHFFFAOYSA-N
SMILES C(C1=CN=CN=C1N)[N+]1=CSC(CCO)=C1C

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