400078-45-7
2-(4,5-DIHYDRO-1,3-THIAZOL-2-YL)-5-METHYL-2,4-DIHYDRO-3H-PYRAZOL-3-ONE
Name2-(4,5-DIHYDRO-1,3-THIAZOL-2-YL)-5-METHYL-2,4-DIHYDRO-3H-PYRAZOL-3-ONE
1Identification
【Name】
2-(4,5-DIHYDRO-1,3-THIAZOL-2-YL)-5-METHYL-2,4-DIHYDRO-3H-PYRAZOL-3-ONE
【CAS】
【MDL】
MFCD01936143
【English Synonyms】
【Formula】
C7 H9 N3 O S
【MolWeight】
183.234
【Inchi】
InChI=1S/C7H9N3OS/c1-5-4-6(11)10(9-5)7-8-2-3-12-7/h2-4H2,1H3
【InChIKey】
InChIKey=CSOFHWHOUFZJSX-UHFFFAOYSA-N
【SMILES】
CC1=NN(C(=O)C1)C2=NCCS2
【MOL File】
2-(4,5-DIHYDRO-1,3-T….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(4,5-DIHYDRO-1,3-THIAZOL-2-YL)-5-METHYL-2,4-DIHYDRO-3H-PYRAZOL-3-ONE.cml