116850-60-3
4-METHYL-3-(METHYLSULFINYL)-5-PHENYL-4H-1,2,4-TRIAZOLE
Name4-METHYL-3-(METHYLSULFINYL)-5-PHENYL-4H-1,2,4-TRIAZOLE
1Identification
【Name】
4-METHYL-3-(METHYLSULFINYL)-5-PHENYL-4H-1,2,4-TRIAZOLE
【CAS】
【MDL】
MFCD01678580
【English Synonyms】
【Formula】
C10 H11 N3 O S
【MolWeight】
221.283
【Inchi】
InChI=1S/C10H11N3OS/c1-13-9(8-6-4-3-5-7-8)11-12-10(13)15(2)14/h3-7H,1-2H3
【InChIKey】
InChIKey=LXHVERNYCANDQP-UHFFFAOYSA-N
【SMILES】
Cn1c(nnc1S(=O)C)c2ccccc2
【MOL File】
4-METHYL-3-(METHYLSU….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-METHYL-3-(METHYLSULFINYL)-5-PHENYL-4H-1,2,4-TRIAZOLE.cml