184951-87-9

Name BOC-THIONOPHE-1-(6-NITRO)BENZOTRIAZOLIDE
CAS 184951-87-9
Molecular Formula C20H21N5O4S
MDL Number MFCD01318725
Molecular Weight 427.48
MOL File 184951-87-9.mol

Chemical Properties

density  1.36
storage temp.  -15°C
pka 10.06±0.46(Predicted)
InChI InChI=1S/C20H21N5O4S/c1-20(2,3)29-19(26)21-16(11-13-7-5-4-6-8-13)18(30)24-17-12-14(25(27)28)9-10-15(17)22-23-24/h4-10,12,16H,11H2,1-3H3,(H,21,26)/t16-/m0/s1
InChIKey VETHVWLHXKQIRS-INIZCTEOSA-N
SMILES C(OC(C)(C)C)(=O)N[C@@H](CC1=CC=CC=C1)C(N1C2=CC([N+]([O-])=O)=CC=C2N=N1)=S

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