538337-57-4
2-((4-ALLYL-5-((PHENYLTHIO)ME)-4H-1,2,4-TRIAZOL-3-YL)THIO)-1-(4-CL-PH)ETHANONE
Name
2-((4-ALLYL-5-((PHENYLTHIO)ME)-4H-1,2,4-TRIAZOL-3-YL)THIO)-1-(4-CL-PH)ETHANONE
Formula
C20 H18 Cl N3 O S2
MolWeight
415.967
1Identification
【Name】
2-((4-ALLYL-5-((PHENYLTHIO)ME)-4H-1,2,4-TRIAZOL-3-YL)THIO)-1-(4-CL-PH)ETHANONE
【CAS】
【MDL】
MFCD05154845
【English Synonyms】
【Formula】
C20 H18 Cl N3 O S2
【MolWeight】
415.967
【Inchi】
InChI=1S/C20H18ClN3OS2/c1-2-12-24-19(14-26-17-6-4-3-5-7-17)22-23-20(24)27-13-18(25)15-8-10-16(21)11-9-15/h2-11H,1,12-14H2
【InChIKey】
InChIKey=ZEFMBVDUJJROTQ-UHFFFAOYSA-N
【SMILES】
C=CCn1c(nnc1SCC(=O)c2ccc(cc2)Cl)CSc3ccccc3
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-((4-ALLYL-5-((PHENYLTHIO)ME)-4H-1,2,4-TRIAZOL-3-YL)THIO)-1-(4-CL-PH)ETHANONE.cml
Quick Release
TOP Suppliers
Sigma-Aldrich Corporation
Catalog No:L443050-1EA 10MG
Country/Region:United States
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Catalog No:L443050-1EA 10MG
Country/Region:United States
Business Type:Reagent Company
http://www.sigma-aldrich.com
More 538337-57-4 Suppliers>>