50623-01-3
5-(4-METHYLPHENYL)SULFONYLSULFANYL-1-PHENYL-TETRAZOLE
Name5-(4-METHYLPHENYL)SULFONYLSULFANYL-1-PHENYL-TETRAZOLE
1Identification
【Name】
5-(4-METHYLPHENYL)SULFONYLSULFANYL-1-PHENYL-TETRAZOLE
【CAS】
【MDL】
MFCD18969367
【English Synonyms】
【Formula】
C14 H12 N4 O2 S2
【MolWeight】
332.407
【Inchi】
InChI=1S/C14H12N4O2S2/c1-11-7-9-13(10-8-11)22(19,20)21-14-15-16-17-18(14)12-5-3-2-4-6-12/h2-10H,1H3
【InChIKey】
InChIKey=HWMPKARRBLRUAN-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)S(=O)(=O)Sc2nnnn2c3ccccc3
【MOL File】
5-(4-METHYLPHENYL)SU….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(4-METHYLPHENYL)SULFONYLSULFANYL-1-PHENYL-TETRAZOLE.cml