887867-14-3
4-[(4-FLUOROPHENYL)METHYLIDENEAMINO]-5-PROPAN-2-YL-2H-1,2,4-TRIAZOLE-3(4H)-THIONE
Name4-[(4-FLUOROPHENYL)METHYLIDENEAMINO]-5-PROPAN-2-YL-2H-1,2,4-TRIAZOLE-3(4H)-THIONE
1Identification
【Name】
4-[(4-FLUOROPHENYL)METHYLIDENEAMINO]-5-PROPAN-2-YL-2H-1,2,4-TRIAZOLE-3(4H)-THIONE
【CAS】
【MDL】
MFCD09951864
【English Synonyms】
【Formula】
C12H13FN4S
【MolWeight】
264.327
【Inchi】
InChI=1S/C12H13FN4S/c1-8(2)11-15-16-12(18)17(11)14-7-9-3-5-10(13)6-4-9/h3-8H,1-2H3,(H,16,18)
【InChIKey】
InChIKey=JKVIXEQZXRDDAJ-UHFFFAOYSA-N
【SMILES】
FC1=CC=C(C=C1)C=NN1C(NN=C1C(C)C)=S
【MOL File】
4-[(4-FLUOROPHENYL)M….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:4.1931
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[(4-FLUOROPHENYL)METHYLIDENEAMINO]-5-PROPAN-2-YL-2H-1,2,4-TRIAZOLE-3(4H)-THIONE.cml