540775-05-1
2-[(4-ALLYL-5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-1-(4-BROMOPHENYL)ETHANONE
Name
2-[(4-ALLYL-5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-1-(4-BROMOPHENYL)ETHANONE
Formula
C21 H20 Br N3 O S2
MolWeight
474.445
1Identification
【Name】
2-[(4-ALLYL-5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-1-(4-BROMOPHENYL)ETHANONE
【CAS】
【MDL】
MFCD05154924
【English Synonyms】
【Formula】
C21 H20 Br N3 O S2
【MolWeight】
474.445
【Inchi】
InChI=1S/C21H20BrN3OS2/c1-3-12-25-20(14-27-18-10-4-15(2)5-11-18)23-24-21(25)28-13-19(26)16-6-8-17(22)9-7-16/h3-11H,1,12-14H2,2H3
【InChIKey】
InChIKey=JLBCWDKOKHFDEE-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)SCc2nnc(n2CC=C)SCC(=O)c3ccc(cc3)Br
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[(4-ALLYL-5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-1-(4-BROMOPHENYL)ETHANONE.cml
Quick Release
TOP Suppliers
Sigma-Aldrich Corporation
Catalog No:L445207-1EA 10MG
Country/Region:United States
Business Type:Reagent Company
http://www.sigma-aldrich.com
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Catalog No:L445207-1EA 10MG
Country/Region:United States
Business Type:Reagent Company
http://www.sigma-aldrich.com
More 540775-05-1 Suppliers>>