697800-25-2
N-[4-[(5-CHLORO-1H-BENZIMIDAZOL-2-YL)THIO]PHENYL]-N'-METHYLTHIOUREA
NameN-[4-[(5-CHLORO-1H-BENZIMIDAZOL-2-YL)THIO]PHENYL]-N'-METHYLTHIOUREA
1Identification
【Name】
N-[4-[(5-CHLORO-1H-BENZIMIDAZOL-2-YL)THIO]PHENYL]-N'-METHYLTHIOUREA
【CAS】
【MDL】
MFCD17188653
【English Synonyms】
【Formula】
C15 H13 Cl N4 S2
【MolWeight】
348.881
【Inchi】
InChI=1S/C15H13ClN4S2/c1-17-14(21)18-10-3-5-11(6-4-10)22-15-19-12-7-2-9(16)8-13(12)20-15/h2-8H,1H3,(H,19,20)(H2,17,18,21)
【InChIKey】
InChIKey=NRLCKHAVGSDYCM-UHFFFAOYSA-N
【SMILES】
CNC(=S)Nc1ccc(cc1)Sc2[nH]c3ccc(cc3n2)Cl
【MOL File】
N-[4-[(5-CHLORO-1H-B….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-[4-[(5-CHLORO-1H-BENZIMIDAZOL-2-YL)THIO]PHENYL]-N'-METHYLTHIOUREA.cml