578746-67-5
ME 4-(((3-(4-F-PH)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)METHYL)BENZOATE
Name
ME 4-(((3-(4-F-PH)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)METHYL)BENZOATE
Formula
C17 H13 F N4 O2 S
MolWeight
356.38
1Identification
【Name】
ME 4-(((3-(4-F-PH)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)METHYL)BENZOATE
【CAS】
【MDL】
MFCD04024163
【English Synonyms】
【Formula】
C17 H13 F N4 O2 S
【MolWeight】
356.38
【Inchi】
InChI=1S/C17H13FN4O2S/c1-24-16(23)13-4-2-11(3-5-13)10-19-22-15(20-21-17(22)25)12-6-8-14(18)9-7-12/h2-10H,1H3,(H,21,25)/b19-10+
【InChIKey】
InChIKey=UTINKGMTKURPKM-VXLYETTFSA-N
【SMILES】
COC(=O)c1ccc(cc1)/C=N/n2c(nnc2S)c3ccc(cc3)F
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ME 4-(((3-(4-F-PH)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)METHYL)BENZOATE.cml
Quick Release
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Catalog No:L410209-1EA 10MG
Country/Region:United States
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