4-(((4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzoic acid

Modify Date: 2025-09-22 11:58:19

4-(((4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzoic acid Structure
4-(((4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzoic acid structure
Common Name 4-(((4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzoic acid
CAS Number 678558-55-9 Molecular Weight 467.33800
Density N/A Boiling Point N/A
Molecular Formula C21H15BrN4O2S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 4-(((4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzoic acid

 Chemical & Physical Properties

Molecular Formula C21H15BrN4O2S
Molecular Weight 467.33800
Exact Mass 466.01000
PSA 106.20000
LogP 5.08230
InChIKey ABTVZXUHGLILMC-UHFFFAOYSA-N
SMILES O=C(O)c1ccc(CSc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)cc1

 Safety Information

HS Code 2933990090

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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