50369-47-6
1-METHYL-5-(METHYLTHIO)-3-PHENYL-1H-1,2,4-TRIAZOLE
Name1-METHYL-5-(METHYLTHIO)-3-PHENYL-1H-1,2,4-TRIAZOLE
1Identification
【Name】
1-METHYL-5-(METHYLTHIO)-3-PHENYL-1H-1,2,4-TRIAZOLE
【CAS】
【MDL】
MFCD01678590
【English Synonyms】
【Formula】
C10 H11 N3 S
【MolWeight】
205.284
【Inchi】
InChI=1S/C10H11N3S/c1-13-10(14-2)11-9(12-13)8-6-4-3-5-7-8/h3-7H,1-2H3
【InChIKey】
InChIKey=WUJXPLXQMNCTSV-UHFFFAOYSA-N
【SMILES】
Cn1c(nc(n1)c2ccccc2)SC
【MOL File】
1-METHYL-5-(METHYLTH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-METHYL-5-(METHYLTHIO)-3-PHENYL-1H-1,2,4-TRIAZOLE.cml