579440-57-6
2-[[5-(4-TERT-BUTYLPHENYL)-4-(4-METHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-1-(3-METHOXYPHENYL)ETHANONE
Name
2-[[5-(4-TERT-BUTYLPHENYL)-4-(4-METHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-1-(3-METHOXYPHENYL)ETHANONE
Formula
C28 H29 N3 O3 S
MolWeight
487.621
1Identification
【Name】
2-[[5-(4-TERT-BUTYLPHENYL)-4-(4-METHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-1-(3-METHOXYPHENYL)ETHANONE
【CAS】
【MDL】
MFCD03223966
【English Synonyms】
【Formula】
C28 H29 N3 O3 S
【MolWeight】
487.621
【Inchi】
InChI=1S/C28H29N3O3S/c1-28(2,3)21-11-9-19(10-12-21)26-29-30-27(31(26)22-13-15-23(33-4)16-14-22)35-18-25(32)20-7-6-8-24(17-20)34-5/h6-17H,18H2,1-5H3
【InChIKey】
InChIKey=WVNBSNBABNZZST-UHFFFAOYSA-N
【SMILES】
CC(C)(C)c1ccc(cc1)c2nnc(n2c3ccc(cc3)OC)SCC(=O)c4cccc(c4)OC
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[[5-(4-TERT-BUTYLPHENYL)-4-(4-METHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-1-(3-METHOXYPHENYL)ETHANONE.cml
Quick Release
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Sigma-Aldrich Corporation
Catalog No:L416568-1EA 10MG
Country/Region:United States
Business Type:Reagent Company
http://www.sigma-aldrich.com
More 579440-57-6 Suppliers>>
Catalog No:L416568-1EA 10MG
Country/Region:United States
Business Type:Reagent Company
http://www.sigma-aldrich.com
More 579440-57-6 Suppliers>>