948575-59-5
2,3-DIHYDRO-8-METHYL-2-THIOXOPYRAZOLO[1,5-A][1,3,5]TRIAZIN-4(1H)-ONE
Name2,3-DIHYDRO-8-METHYL-2-THIOXOPYRAZOLO[1,5-A][1,3,5]TRIAZIN-4(1H)-ONE
1Identification
【Name】
2,3-DIHYDRO-8-METHYL-2-THIOXOPYRAZOLO[1,5-A][1,3,5]TRIAZIN-4(1H)-ONE
【CAS】
【MDL】
MFCD12755912
【English Synonyms】
【Formula】
C6 H6 N4 O S
【MolWeight】
182.206
【Inchi】
InChI=1S/C6H6N4OS/c1-3-2-7-10-4(3)8-5(12)9-6(10)11/h2H,1H3,(H2,8,9,11,12)
【InChIKey】
InChIKey=KQQGDHAPTJYQTO-UHFFFAOYSA-N
【SMILES】
Cc1cnn2c1[nH]c(=S)[nH]c2=O
【MOL File】
2,3-DIHYDRO-8-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2,3-DIHYDRO-8-METHYL-2-THIOXOPYRAZOLO[1,5-A][1,3,5]TRIAZIN-4(1H)-ONE.cml