539808-73-6
5-[(4-TERT-BUTYLPHENOXY)METHYL]-4-(2-METHYLPHENYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE
Name
5-[(4-TERT-BUTYLPHENOXY)METHYL]-4-(2-METHYLPHENYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE
Formula
C20 H23 N3 O S
MolWeight
353.488
1Identification
【Name】
5-[(4-TERT-BUTYLPHENOXY)METHYL]-4-(2-METHYLPHENYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE
【CAS】
【MDL】
MFCD05154898
【English Synonyms】
【Formula】
C20 H23 N3 O S
【MolWeight】
353.488
【Inchi】
InChI=1S/C20H23N3OS/c1-14-7-5-6-8-17(14)23-18(21-22-19(23)25)13-24-16-11-9-15(10-12-16)20(2,3)4/h5-12H,13H2,1-4H3,(H,22,25)
【InChIKey】
InChIKey=HNFBXQSVJFFEPU-UHFFFAOYSA-N
【SMILES】
Cc1ccccc1n2c(n[nH]c2=S)COc3ccc(cc3)C(C)(C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-[(4-TERT-BUTYLPHENOXY)METHYL]-4-(2-METHYLPHENYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE.cml
Quick Release
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Catalog No:L444146-10MG 10MG
Country/Region:United States
Business Type:Reagent Company
http://www.sigma-aldrich.com
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