540775-18-6
[(4-[[(E)-(5-BROMO-2-HYDROXYPHENYL)METHYLIDENE]AMINO]-5-METHYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETIC ACID
Name[(4-[[(E)-(5-BROMO-2-HYDROXYPHENYL)METHYLIDENE]AMINO]-5-METHYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETIC ACID
FormulaC12 H11 Br N4 O3 S
1Identification
【Name】
[(4-[[(E)-(5-BROMO-2-HYDROXYPHENYL)METHYLIDENE]AMINO]-5-METHYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETIC ACID
【CAS】
【MDL】
MFCD04426923
【English Synonyms】
【Formula】
C12 H11 Br N4 O3 S
【MolWeight】
371.214
【Inchi】
InChI=1S/C12H11BrN4O3S/c1-7-15-16-12(21-6-11(19)20)17(7)14-5-8-4-9(13)2-3-10(8)18/h2-5,18H,6H2,1H3,(H,19,20)/b14-5+
【InChIKey】
InChIKey=YHMOOENJWVSKTR-LHHJGKSTSA-N
【SMILES】
Cc1nnc(n1/N=C/c2cc(ccc2O)Br)SCC(=O)O
【MOL File】
[(4-[[(E)-(5-BROMO-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
[(4-[[(E)-(5-BROMO-2-HYDROXYPHENYL)METHYLIDENE]AMINO]-5-METHYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETIC ACID.cml