463367-02-4
2-(2-BROMOBENZYLIDENE)-6-ME-7H-(1,3)THIAZOLO(3,2-B)(1,2,4)TRIAZINE-3,7(2H)-DIONE
Name2-(2-BROMOBENZYLIDENE)-6-ME-7H-(1,3)THIAZOLO(3,2-B)(1,2,4)TRIAZINE-3,7(2H)-DIONE
1Identification
【Name】
2-(2-BROMOBENZYLIDENE)-6-ME-7H-(1,3)THIAZOLO(3,2-B)(1,2,4)TRIAZINE-3,7(2H)-DIONE
【CAS】
【MDL】
MFCD01650879
【English Synonyms】
【Formula】
C13 H8 Br N3 O2 S
【MolWeight】
350.195
【Inchi】
InChI=1S/C13H8BrN3O2S/c1-7-11(18)15-13-17(16-7)12(19)10(20-13)6-8-4-2-3-5-9(8)14/h2-6H,1H3/b10-6-
【InChIKey】
InChIKey=HVWNVMVSSDMZDZ-POHAHGRESA-N
【SMILES】
Cc1c(=O)nc2n(n1)c(=O)/c(=C/c3ccccc3Br)/s2
【MOL File】
2-(2-BROMOBENZYLIDEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(2-BROMOBENZYLIDENE)-6-ME-7H-(1,3)THIAZOLO(3,2-B)(1,2,4)TRIAZINE-3,7(2H)-DIONE.cml