154496-71-6
1,2-DIHYDRO-5-METHYL-2-(6-METHYL-2-((1-METHYLETHYL)THIO)-4-PYRIMIDINYL)-3H-PYRAZOL-3-ONE
Name1,2-DIHYDRO-5-METHYL-2-(6-METHYL-2-((1-METHYLETHYL)THIO)-4-PYRIMIDINYL)-3H-PYRAZOL-3-ONE
1Identification
【Name】
1,2-DIHYDRO-5-METHYL-2-(6-METHYL-2-((1-METHYLETHYL)THIO)-4-PYRIMIDINYL)-3H-PYRAZOL-3-ONE
【CAS】
【MDL】
MFCD01758187
【English Synonyms】
【Formula】
C12 H16 N4 O S
【MolWeight】
264.351
【Inchi】
InChI=1S/C12H16N4OS/c1-7(2)18-12-13-8(3)5-10(14-12)16-11(17)6-9(4)15-16/h5,7H,6H2,1-4H3
【InChIKey】
InChIKey=BUWKDHPANGTLKQ-UHFFFAOYSA-N
【SMILES】
Cc1cc(nc(n1)SC(C)C)N2C(=O)CC(=N2)C
【MOL File】
1,2-DIHYDRO-5-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,2-DIHYDRO-5-METHYL-2-(6-METHYL-2-((1-METHYLETHYL)THIO)-4-PYRIMIDINYL)-3H-PYRAZOL-3-ONE.cml