540775-00-6
2-[(4-ALLYL-5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-[3-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE
Name
2-[(4-ALLYL-5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-[3-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE
Formula
C22 H21 F3 N4 O S2
MolWeight
478.561
1Identification
【Name】
2-[(4-ALLYL-5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-[3-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE
【CAS】
【MDL】
MFCD04426921
【English Synonyms】
【Formula】
C22 H21 F3 N4 O S2
【MolWeight】
478.561
【Inchi】
InChI=1S/C22H21F3N4OS2/c1-3-11-29-19(13-31-18-9-7-15(2)8-10-18)27-28-21(29)32-14-20(30)26-17-6-4-5-16(12-17)22(23,24)25/h3-10,12H,1,11,13-14H2,2H3,(H,26,30)
【InChIKey】
InChIKey=AHAMNRVGRRKZQN-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)SCc2nnc(n2CC=C)SCC(=O)Nc3cccc(c3)C(F)(F)F
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:5.0
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]-N-[3-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE.cml
Quick Release
TOP Suppliers
Sigma-Aldrich Corporation
Catalog No:L445169-1EA 10MG
Country/Region:United States
Business Type:Reagent Company
http://www.sigma-aldrich.com
More 540775-00-6 Suppliers>>
Catalog No:L445169-1EA 10MG
Country/Region:United States
Business Type:Reagent Company
http://www.sigma-aldrich.com
More 540775-00-6 Suppliers>>