306732-11-6
N-(3-CHLORO-4-METHYLPHENYL)-2-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]ACETAMIDE
NameN-(3-CHLORO-4-METHYLPHENYL)-2-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]ACETAMIDE
1Identification
【Name】
N-(3-CHLORO-4-METHYLPHENYL)-2-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD00169418
【English Synonyms】
【Formula】
C13 H14 Cl N3 O S
【MolWeight】
295.793
【Inchi】
InChI=1S/C13H14ClN3OS/c1-9-3-4-10(7-11(9)14)16-12(18)8-19-13-15-5-6-17(13)2/h3-7H,8H2,1-2H3,(H,16,18)
【InChIKey】
InChIKey=TXWMBSOYEQASRF-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1Cl)NC(=O)CSc2nccn2C
【MOL File】
N-(3-CHLORO-4-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(3-CHLORO-4-METHYLPHENYL)-2-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]ACETAMIDE.cml