727704-74-7
([4-(4-FLUOROPHENYL)-5-THIOXO-4,5-DIHYDRO-1,3,4-THIADIAZOL-2-YL]THIO)ACETIC ACID
Name([4-(4-FLUOROPHENYL)-5-THIOXO-4,5-DIHYDRO-1,3,4-THIADIAZOL-2-YL]THIO)ACETIC ACID
1Identification
【Name】
([4-(4-FLUOROPHENYL)-5-THIOXO-4,5-DIHYDRO-1,3,4-THIADIAZOL-2-YL]THIO)ACETIC ACID
【CAS】
【MDL】
MFCD04618158
【English Synonyms】
【Formula】
C10 H7 F N2 O2 S3
【MolWeight】
302.373
【Inchi】
InChI=1S/C10H7FN2O2S3/c11-6-1-3-7(4-2-6)13-10(16)18-9(12-13)17-5-8(14)15/h1-4H,5H2,(H,14,15)
【InChIKey】
InChIKey=RLUNQXFMRDUOAE-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1n2c(=S)sc(n2)SCC(=O)O)F
【MOL File】
([4-(4-FLUOROPHENYL)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
([4-(4-FLUOROPHENYL)-5-THIOXO-4,5-DIHYDRO-1,3,4-THIADIAZOL-2-YL]THIO)ACETIC ACID.cml