321998-91-8
5-[BIS(ETHYLSULFANYL)METHYL]-1-PHENYL-1H-PYRAZOLE
Name5-[BIS(ETHYLSULFANYL)METHYL]-1-PHENYL-1H-PYRAZOLE
1Identification
【Name】
5-[BIS(ETHYLSULFANYL)METHYL]-1-PHENYL-1H-PYRAZOLE
【CAS】
【MDL】
MFCD00138782
【English Synonyms】
【Formula】
C14 H18 N2 S2
【MolWeight】
278.442
【Inchi】
InChI=1S/C14H18N2S2/c1-3-17-14(18-4-2)13-10-11-15-16(13)12-8-6-5-7-9-12/h5-11,14H,3-4H2,1-2H3
【InChIKey】
InChIKey=OXJYXQWMTCAFHG-UHFFFAOYSA-N
【SMILES】
CCSC(c1ccnn1c2ccccc2)SCC
【MOL File】
5-[BIS(ETHYLSULFANYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-[BIS(ETHYLSULFANYL)METHYL]-1-PHENYL-1H-PYRAZOLE.cml