891456-27-2
1,2-DIHYDRO-5-[[(4-METHYLPHENYL)THIO]METHYL]-3H-PYRAZOL-3-ONE
Name1,2-DIHYDRO-5-[[(4-METHYLPHENYL)THIO]METHYL]-3H-PYRAZOL-3-ONE
1Identification
【Name】
1,2-DIHYDRO-5-[[(4-METHYLPHENYL)THIO]METHYL]-3H-PYRAZOL-3-ONE
【CAS】
【MDL】
MFCD20259766
【English Synonyms】
【Formula】
C11 H12 N2 O S
【MolWeight】
220.295
【Inchi】
InChI=1S/C11H12N2OS/c1-8-2-4-10(5-3-8)15-7-9-6-11(14)13-12-9/h2-6H,7H2,1H3,(H2,12,13,14)
【InChIKey】
InChIKey=PEMCBRHXPJEUOM-UHFFFAOYSA-N
【SMILES】
Cc1ccc(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:3
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,2-DIHYDRO-5-[[(4-METHYLPHENYL)THIO]METHYL]-3H-PYRAZOL-3-ONE.cml