697800-26-3
N-[4-(5-CHLORO-1H-BENZIMIDAZOL-2-YLTHIO)PHENYL]-N'-PROPYLTHIOUREA
NameN-[4-(5-CHLORO-1H-BENZIMIDAZOL-2-YLTHIO)PHENYL]-N'-PROPYLTHIOUREA
1Identification
【Name】
N-[4-(5-CHLORO-1H-BENZIMIDAZOL-2-YLTHIO)PHENYL]-N'-PROPYLTHIOUREA
【CAS】
【MDL】
MFCD17188681
【English Synonyms】
【Formula】
C17 H17 Cl N4 S2
【MolWeight】
376.934
【Inchi】
InChI=1S/C17H17ClN4S2/c1-2-9-19-16(23)20-12-4-6-13(7-5-12)24-17-21-14-8-3-11(18)10-15(14)22-17/h3-8,10H,2,9H2,1H3,(H,21,22)(H2,19,20,23)
【InChIKey】
InChIKey=DIRZYIWMOGKGBQ-UHFFFAOYSA-N
【SMILES】
CCCNC(=S)Nc1ccc(cc1)Sc2[nH]c3ccc(cc3n2)Cl
【MOL File】
N-[4-(5-CHLORO-1H-BE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-[4-(5-CHLORO-1H-BENZIMIDAZOL-2-YLTHIO)PHENYL]-N'-PROPYLTHIOUREA.cml