251989-15-8
4,6-DIHYDRO-1,3-DIMETHYL-IMIDAZO[4,5-C]PYRAZOLE-5(1H)-THIONE
Name4,6-DIHYDRO-1,3-DIMETHYL-IMIDAZO[4,5-C]PYRAZOLE-5(1H)-THIONE
1Identification
【Name】
4,6-DIHYDRO-1,3-DIMETHYL-IMIDAZO[4,5-C]PYRAZOLE-5(1H)-THIONE
【CAS】
【MDL】
MFCD21336369
【English Synonyms】
【Formula】
C6 H8 N4 S
【MolWeight】
168.223
【Inchi】
InChI=1S/C6H8N4S/c1-3-4-5(10(2)9-3)8-6(11)7-4/h1-2H3,(H2,7,8,11)
【InChIKey】
InChIKey=VAVLKOJOXLIWQX-UHFFFAOYSA-N
【SMILES】
Cc1c2c([nH]c(=S)[nH]2)n(n1)C
【MOL File】
4,6-DIHYDRO-1,3-DIME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4,6-DIHYDRO-1,3-DIMETHYL-IMIDAZO[4,5-C]PYRAZOLE-5(1H)-THIONE.cml