565178-09-8
4-AMINO-5-(2-METHOXY-5-METHYL-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL
Name4-AMINO-5-(2-METHOXY-5-METHYL-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL
1Identification
【Name】
4-AMINO-5-(2-METHOXY-5-METHYL-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD03987285
【English Synonyms】
【Formula】
C10 H12 N4 O S
【MolWeight】
236.298
【Inchi】
InChI=1S/C10H12N4OS/c1-6-3-4-8(15-2)7(5-6)9-12-13-10(16)14(9)11/h3-5H,11H2,1-2H3,(H,13,16)
【InChIKey】
InChIKey=ZXZXHYUSXYAVQZ-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)c2nnc(n2N)S)OC
【MOL File】
4-AMINO-5-(2-METHOXY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-AMINO-5-(2-METHOXY-5-METHYL-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL.cml