765285-13-0
N-(5-CHLORO-2-METHYLPHENYL)-2-(4H-1,2,4-TRIAZOL-3-YLTHIO)ACETAMIDE HYDROCHLORIDE
NameN-(5-CHLORO-2-METHYLPHENYL)-2-(4H-1,2,4-TRIAZOL-3-YLTHIO)ACETAMIDE HYDROCHLORIDE
FormulaC11 H11 Cl N4 O S . Cl H
1Identification
【Name】
N-(5-CHLORO-2-METHYLPHENYL)-2-(4H-1,2,4-TRIAZOL-3-YLTHIO)ACETAMIDE HYDROCHLORIDE
【CAS】
【MDL】
MFCD05154939
【English Synonyms】
【Formula】
C11 H11 Cl N4 O S . Cl H
【MolWeight】
319.215
【Inchi】
InChI=1S/C11H11ClN4OS.ClH/c1-7-2-3-8(12)4-9(7)15-10(17)5-18-11-13-6-14-16-11;/h2-4,6H,5H2,1H3,(H,15,17)(H,13,14,16);1H
【InChIKey】
InChIKey=UKORNTBDJGUZGH-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1NC(=O)CSc2[nH]cnn2)Cl.Cl
【MOL File】
N-(5-CHLORO-2-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(5-CHLORO-2-METHYLPHENYL)-2-(4H-1,2,4-TRIAZOL-3-YLTHIO)ACETAMIDE HYDROCHLORIDE.cml