578722-44-8
2-ALLYL-6-(((3-(4-F-PH)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)METHYL)PHENOL
Name
2-ALLYL-6-(((3-(4-F-PH)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)METHYL)PHENOL
Formula
C18 H15 F N4 O S
MolWeight
354.408
1Identification
【Name】
2-ALLYL-6-(((3-(4-F-PH)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)METHYL)PHENOL
【CAS】
【MDL】
MFCD04029777
【English Synonyms】
【Formula】
C18 H15 F N4 O S
【MolWeight】
354.408
【Inchi】
InChI=1S/C18H15FN4OS/c1-2-4-12-5-3-6-14(16(12)24)11-20-23-17(21-22-18(23)25)13-7-9-15(19)10-8-13/h2-3,5-11,24H,1,4H2,(H,22,25)/b20-11+
【InChIKey】
InChIKey=HDFFVKRDGYAKET-RGVLZGJSSA-N
【SMILES】
C=CCc1cccc(c1O)/C=N/n2c(nnc2S)c3ccc(cc3)F
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-ALLYL-6-(((3-(4-F-PH)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)METHYL)PHENOL.cml
Quick Release
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Catalog No:L404500-1EA 10MG
Country/Region:United States
Business Type:Reagent Company
http://www.sigma-aldrich.com
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