683755-35-3
N-[4-(1H-BENZIMIDAZOL-2-YLTHIO)PHENYL]-N'-METHYLTHIOUREA
NameN-[4-(1H-BENZIMIDAZOL-2-YLTHIO)PHENYL]-N'-METHYLTHIOUREA
1Identification
【Name】
N-[4-(1H-BENZIMIDAZOL-2-YLTHIO)PHENYL]-N'-METHYLTHIOUREA
【CAS】
【MDL】
MFCD17188650
【English Synonyms】
【Formula】
C15 H14 N4 S2
【MolWeight】
314.436
【Inchi】
InChI=1S/C15H14N4S2/c1-16-14(20)17-10-6-8-11(9-7-10)21-15-18-12-4-2-3-5-13(12)19-15/h2-9H,1H3,(H,18,19)(H2,16,17,20)
【InChIKey】
InChIKey=WCXKZWRXZDORJR-UHFFFAOYSA-N
【SMILES】
CNC(=S)Nc1ccc(cc1)Sc2[nH]c3ccccc3n2
【MOL File】
N-[4-(1H-BENZIMIDAZO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-[4-(1H-BENZIMIDAZOL-2-YLTHIO)PHENYL]-N'-METHYLTHIOUREA.cml