733031-78-2
4-(((3-MERCAPTO-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-4-YL)IMINO)METHYL)BENZOIC ACID
Name
4-(((3-MERCAPTO-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-4-YL)IMINO)METHYL)BENZOIC ACID
Formula
C15 H11 N5 O2 S
MolWeight
325.351
1Identification
【Name】
4-(((3-MERCAPTO-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-4-YL)IMINO)METHYL)BENZOIC ACID
【CAS】
【MDL】
MFCD04635989
【English Synonyms】
【Formula】
C15 H11 N5 O2 S
【MolWeight】
325.351
【Inchi】
InChI=1S/C15H11N5O2S/c21-14(22)11-6-4-10(5-7-11)9-17-20-13(18-19-15(20)23)12-3-1-2-8-16-12/h1-9H,(H,19,23)(H,21,22)/b17-9+
【InChIKey】
InChIKey=XNHAWMCIQWGRNP-RQZCQDPDSA-N
【SMILES】
c1ccnc(c1)c2nnc(n2/N=C/c3ccc(cc3)C(=O)O)S
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(((3-MERCAPTO-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-4-YL)IMINO)METHYL)BENZOIC ACID.cml
Quick Release
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Catalog No:L468053-1EA 10MG
Country/Region:United States
Business Type:Reagent Company
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