55294-10-5
3-METHYL-1-(2-(PHENYLTHIO)ETHYL)-1H-PYRAZOL-5(4H)-ONE
Name3-METHYL-1-(2-(PHENYLTHIO)ETHYL)-1H-PYRAZOL-5(4H)-ONE
1Identification
【Name】
3-METHYL-1-(2-(PHENYLTHIO)ETHYL)-1H-PYRAZOL-5(4H)-ONE
【CAS】
【MDL】
MFCD20227512
【English Synonyms】
【Formula】
C12 H14 N2 O S
【MolWeight】
234.322
【Inchi】
InChI=1S/C12H14N2OS/c1-10-9-12(15)14(13-10)7-8-16-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3
【InChIKey】
InChIKey=LPMVKVNEICSOPU-UHFFFAOYSA-N
【SMILES】
CC1=NN(C(=O)C1)CCSc2ccccc2
【MOL File】
3-METHYL-1-(2-(PHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-METHYL-1-(2-(PHENYLTHIO)ETHYL)-1H-PYRAZOL-5(4H)-ONE.cml