731003-94-4
2-([5-(2-FLUOROPHENYL)-4-METHYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETIC ACID
Name2-([5-(2-FLUOROPHENYL)-4-METHYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETIC ACID
1Identification
【Name】
2-([5-(2-FLUOROPHENYL)-4-METHYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETIC ACID
【CAS】
【MDL】
MFCD04036356
【English Synonyms】
【Formula】
C11 H10 F N3 O2 S
【MolWeight】
267.283
【Inchi】
InChI=1S/C11H10FN3O2S/c1-15-10(7-4-2-3-5-8(7)12)13-14-11(15)18-6-9(16)17/h2-5H,6H2,1H3,(H,16,17)
【InChIKey】
InChIKey=BLERKUNSBFDKJC-UHFFFAOYSA-N
【SMILES】
Cn1c(nnc1SCC(=O)O)c2ccccc2F
【MOL File】
2-([5-(2-FLUOROPHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-([5-(2-FLUOROPHENYL)-4-METHYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETIC ACID.cml