842973-77-7
5-[1-(2,3-DIMETHYL-PHENOXY)-ETHYL]-[1,3,4]THIADIAZOL-2-YLAMINE
Name5-[1-(2,3-DIMETHYL-PHENOXY)-ETHYL]-[1,3,4]THIADIAZOL-2-YLAMINE
1Identification
【Name】
5-[1-(2,3-DIMETHYL-PHENOXY)-ETHYL]-[1,3,4]THIADIAZOL-2-YLAMINE
【CAS】
【MDL】
MFCD05240301
【English Synonyms】
【Formula】
C12 H15 N3 O S
【MolWeight】
249.337
【Inchi】
InChI=1S/C12H15N3OS/c1-7-5-4-6-10(8(7)2)16-9(3)11-14-15-12(13)17-11/h4-6,9H,1-3H3,(H2,13,15)
【InChIKey】
InChIKey=NPAGTEVEAGUCNO-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1C)OC(C)c2nnc(s2)N
【MOL File】
5-[1-(2,3-DIMETHYL-P….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
5-[1-(2,3-DIMETHYL-PHENOXY)-ETHYL]-[1,3,4]THIADIAZOL-2-YLAMINE.cml