1227692-48-9
1,2-DIHYDRO-5-[[(4-METHOXYPHENYL)THIO]METHYL]-3H-PYRAZOL-3-ONE
Name1,2-DIHYDRO-5-[[(4-METHOXYPHENYL)THIO]METHYL]-3H-PYRAZOL-3-ONE
1Identification
【Name】
1,2-DIHYDRO-5-[[(4-METHOXYPHENYL)THIO]METHYL]-3H-PYRAZOL-3-ONE
【CAS】
【MDL】
MFCD20259768
【English Synonyms】
【Formula】
C11 H12 N2 O2 S
【MolWeight】
236.294
【Inchi】
InChI=1S/C11H12N2O2S/c1-15-9-2-4-10(5-3-9)16-7-8-6-11(14)13-12-8/h2-6H,7H2,1H3,(H2,12,13,14)
【InChIKey】
InChIKey=MHQQTIGOKHTQLR-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1)SCc2cc(=O)[nH][nH]2
【MOL File】
1,2-DIHYDRO-5-[[(4-M….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
1,2-DIHYDRO-5-[[(4-METHOXYPHENYL)THIO]METHYL]-3H-PYRAZOL-3-ONE.cml