477887-99-3
5-(4,5-DIHYDRONAPHTHO[1,2-B]THIOPHEN-2-YL)-1,3,4-OXADIAZOLE-2-THIOL
Name5-(4,5-DIHYDRONAPHTHO[1,2-B]THIOPHEN-2-YL)-1,3,4-OXADIAZOLE-2-THIOL
1Identification
【Name】
5-(4,5-DIHYDRONAPHTHO[1,2-B]THIOPHEN-2-YL)-1,3,4-OXADIAZOLE-2-THIOL
【CAS】
【MDL】
MFCD01815423
【English Synonyms】
【Formula】
C14 H10 N2 O S2
【MolWeight】
286.378
【Inchi】
InChI=1S/C14H10N2OS2/c18-14-16-15-13(17-14)11-7-9-6-5-8-3-1-2-4-10(8)12(9)19-11/h1-4,7H,5-6H2,(H,16,18)
【InChIKey】
InChIKey=NABFUHYMFWBMGY-UHFFFAOYSA-N
【SMILES】
c1ccc-2c(c1)CCc3c2sc(c3)c4nnc(o4)S
【MOL File】
5-(4,5-DIHYDRONAPHTH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(4,5-DIHYDRONAPHTHO[1,2-B]THIOPHEN-2-YL)-1,3,4-OXADIAZOLE-2-THIOL.cml