742094-74-2
5-([2-(3,4-DIMETHOXYPHENYL)ETHYL]AMINO)-1,3,4-THIADIAZOLE-2-THIOL
Name5-([2-(3,4-DIMETHOXYPHENYL)ETHYL]AMINO)-1,3,4-THIADIAZOLE-2-THIOL
1Identification
【Name】
5-([2-(3,4-DIMETHOXYPHENYL)ETHYL]AMINO)-1,3,4-THIADIAZOLE-2-THIOL
【CAS】
【MDL】
MFCD05261229
【English Synonyms】
【Formula】
C12 H15 N3 O2 S2
【MolWeight】
297.401
【Inchi】
InChI=1S/C12H15N3O2S2/c1-16-9-4-3-8(7-10(9)17-2)5-6-13-11-14-15-12(18)19-11/h3-4,7H,5-6H2,1-2H3,(H,13,14)(H,15,18)
【InChIKey】
InChIKey=UUAYOJOLFNRHJK-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1OC)CCNc2nnc(s2)S
【MOL File】
5-([2-(3,4-DIMETHOXY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-([2-(3,4-DIMETHOXYPHENYL)ETHYL]AMINO)-1,3,4-THIADIAZOLE-2-THIOL.cml