578751-45-8
3-((4-BROMOBENZYL)THIO)-4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOLE
Name3-((4-BROMOBENZYL)THIO)-4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOLE
1Identification
【Name】
3-((4-BROMOBENZYL)THIO)-4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOLE
【CAS】
【MDL】
MFCD04024699
【English Synonyms】
【Formula】
C15 H14 Br N3 S2
【MolWeight】
380.333
【Inchi】
InChI=1S/C15H14BrN3S2/c1-2-19-14(13-4-3-9-20-13)17-18-15(19)21-10-11-5-7-12(16)8-6-11/h3-9H,2,10H2,1H3
【InChIKey】
InChIKey=TVUKXMVXBQEEDL-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCc2ccc(cc2)Br)c3cccs3
【MOL File】
3-((4-BROMOBENZYL)TH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-((4-BROMOBENZYL)THIO)-4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOLE.cml