477851-43-7
2-(TERT-BUTYLSULFONYL)-2-(2-(4-(METHYLSULFONYL)PHENYL)HYDRAZONO)ACETONITRILE
Name2-(TERT-BUTYLSULFONYL)-2-(2-(4-(METHYLSULFONYL)PHENYL)HYDRAZONO)ACETONITRILE
1Identification
【Name】
2-(TERT-BUTYLSULFONYL)-2-(2-(4-(METHYLSULFONYL)PHENYL)HYDRAZONO)ACETONITRILE
【CAS】
【MDL】
MFCD00664068
【English Synonyms】
【Formula】
C13 H17 N3 O4 S2
【MolWeight】
343.426
【Inchi】
InChI=1S/C13H17N3O4S2/c1-13(2,3)22(19,20)12(9-14)16-15-10-5-7-11(8-6-10)21(4,17)18/h5-8,15H,1-4H3/b16-12+
【InChIKey】
InChIKey=IOAFIYGXAVMRQS-FOWTUZBSSA-N
【SMILES】
CC(C)(C)S(=O)(=O)/C(=N/Nc1ccc(cc1)S(=O)(=O)C)/C#N
【MOL File】
2-(TERT-BUTYLSULFONY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(TERT-BUTYLSULFONYL)-2-(2-(4-(METHYLSULFONYL)PHENYL)HYDRAZONO)ACETONITRILE.cml