915909-74-9
1,2,4-TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE, 6-(2-METHYLPHENYL)-3-PROPYL-
Name1,2,4-TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE, 6-(2-METHYLPHENYL)-3-PROPYL-
1Identification
【Name】
1,2,4-TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE, 6-(2-METHYLPHENYL)-3-PROPYL-
【CAS】
【MDL】
MFCD08728731
【English Synonyms】
【Formula】
C13 H14 N4 S
【MolWeight】
258.348
【Inchi】
InChI=1S/C13H14N4S/c1-3-6-11-14-15-13-17(11)16-12(18-13)10-8-5-4-7-9(10)2/h4-5,7-8H,3,6H2,1-2H3
【InChIKey】
InChIKey=FRLWLGGXPZRQEY-UHFFFAOYSA-N
【SMILES】
CCCc1nnc2n1nc(s2)c3ccccc3C
【MOL File】
1,2,4-TRIAZOLO[3,4-B….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,2,4-TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE, 6-(2-METHYLPHENYL)-3-PROPYL-.cml