763111-32-6
METHYL ((5-((4-METHYLBENZYL)THIO)-1,3,4-THIADIAZOL-2-YL)THIO)ACETATE
NameMETHYL ((5-((4-METHYLBENZYL)THIO)-1,3,4-THIADIAZOL-2-YL)THIO)ACETATE
1Identification
【Name】
METHYL ((5-((4-METHYLBENZYL)THIO)-1,3,4-THIADIAZOL-2-YL)THIO)ACETATE
【CAS】
【MDL】
MFCD06199226
【English Synonyms】
【Formula】
C13 H14 N2 O2 S3
【MolWeight】
326.464
【Inchi】
InChI=1S/C13H14N2O2S3/c1-9-3-5-10(6-4-9)7-18-12-14-15-13(20-12)19-8-11(16)17-2/h3-6H,7-8H2,1-2H3
【InChIKey】
InChIKey=FIABPEGCDYNALJ-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)CSc2nnc(s2)SCC(=O)OC
【MOL File】
METHYL ((5-((4-METHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
METHYL ((5-((4-METHYLBENZYL)THIO)-1,3,4-THIADIAZOL-2-YL)THIO)ACETATE.cml