588673-50-1
5-[(4-TERT-BUTYLPHENOXY)METHYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
Name
5-[(4-TERT-BUTYLPHENOXY)METHYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
Formula
C14 H19 N3 O S
MolWeight
277.39
1Identification
【Name】
5-[(4-TERT-BUTYLPHENOXY)METHYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD03943469
【English Synonyms】
【Formula】
C14 H19 N3 O S
【MolWeight】
277.39
【Inchi】
InChI=1S/C14H19N3OS/c1-14(2,3)10-5-7-11(8-6-10)18-9-12-15-16-13(19)17(12)4/h5-8H,9H2,1-4H3,(H,16,19)
【InChIKey】
InChIKey=VFJHCIUJARGAOD-UHFFFAOYSA-N
【SMILES】
CC(C)(C)c1ccc(cc1)OCc2nnc(n2C)S
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-[(4-TERT-BUTYLPHENOXY)METHYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL.cml
Quick Release
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Catalog No:A74331 nullnull
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Catalog No:524-301 5G
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