697800-22-9
N-[4-[(5-METHOXY-1H-BENZIMIDAZOL-2-YL)THIO]PHENYL]-N'-METHYLTHIOUREA
NameN-[4-[(5-METHOXY-1H-BENZIMIDAZOL-2-YL)THIO]PHENYL]-N'-METHYLTHIOUREA
1Identification
【Name】
N-[4-[(5-METHOXY-1H-BENZIMIDAZOL-2-YL)THIO]PHENYL]-N'-METHYLTHIOUREA
【CAS】
【MDL】
MFCD17188652
【English Synonyms】
【Formula】
C16 H16 N4 O S2
【MolWeight】
344.461
【Inchi】
InChI=1S/C16H16N4OS2/c1-17-15(22)18-10-3-6-12(7-4-10)23-16-19-13-8-5-11(21-2)9-14(13)20-16/h3-9H,1-2H3,(H,19,20)(H2,17,18,22)
【InChIKey】
InChIKey=UUFWSFLMOJLHPS-UHFFFAOYSA-N
【SMILES】
CNC(=S)Nc1ccc(cc1)Sc2[nH]c3ccc(cc3n2)OC
【MOL File】
N-[4-[(5-METHOXY-1H-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-[4-[(5-METHOXY-1H-BENZIMIDAZOL-2-YL)THIO]PHENYL]-N'-METHYLTHIOUREA.cml