5142-28-9
3,5-DIHYDRO-7-(2-PROPEN-1-YLTHIO)-4H-IMIDAZO[4,5-D]PYRIDAZINE-4-THIONE
Name3,5-DIHYDRO-7-(2-PROPEN-1-YLTHIO)-4H-IMIDAZO[4,5-D]PYRIDAZINE-4-THIONE
1Identification
【Name】
3,5-DIHYDRO-7-(2-PROPEN-1-YLTHIO)-4H-IMIDAZO[4,5-D]PYRIDAZINE-4-THIONE
【CAS】
【MDL】
MFCD18800974
【English Synonyms】
【Formula】
C8 H8 N4 S2
【MolWeight】
224.311
【Inchi】
InChI=1S/C8H8N4S2/c1-2-3-14-8-6-5(9-4-10-6)7(13)11-12-8/h2,4H,1,3H2,(H,9,10)(H,11,13)
【InChIKey】
InChIKey=VLNWOZJSFXDEMI-UHFFFAOYSA-N
【SMILES】
C=CCSc1c2c(c(=S)[nH]n1)[nH]cn2
【MOL File】
3,5-DIHYDRO-7-(2-PRO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,5-DIHYDRO-7-(2-PROPEN-1-YLTHIO)-4H-IMIDAZO[4,5-D]PYRIDAZINE-4-THIONE.cml