741731-81-7
([5-(4-FLUOROPHENYL)-4-(TETRAHYDROFURAN-2-YLMETHYL)-4H-1,2,4-TRIAZOL-3-YL]THIO)ACETIC ACID
Name([5-(4-FLUOROPHENYL)-4-(TETRAHYDROFURAN-2-YLMETHYL)-4H-1,2,4-TRIAZOL-3-YL]THIO)ACETIC ACID
1Identification
【Name】
([5-(4-FLUOROPHENYL)-4-(TETRAHYDROFURAN-2-YLMETHYL)-4H-1,2,4-TRIAZOL-3-YL]THIO)ACETIC ACID
【CAS】
【MDL】
MFCD04639764
【English Synonyms】
【Formula】
C15 H16 F N3 O3 S
【MolWeight】
337.373
【Inchi】
InChI=1S/C15H16FN3O3S/c16-11-5-3-10(4-6-11)14-17-18-15(23-9-13(20)21)19(14)8-12-2-1-7-22-12/h3-6,12H,1-2,7-9H2,(H,20,21)
【InChIKey】
InChIKey=ORDUAXVHGGNNRB-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1c2nnc(n2CC3CCCO3)SCC(=O)O)F
【MOL File】
([5-(4-FLUOROPHENYL)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
([5-(4-FLUOROPHENYL)-4-(TETRAHYDROFURAN-2-YLMETHYL)-4H-1,2,4-TRIAZOL-3-YL]THIO)ACETIC ACID.cml