114058-92-3
2,4-DIHYDRO-5-(4-CHLOROPHENYL)-2-ETHYL-4-METHYL-3H-1,2,4-TRIAZOLE-3-THIONE
Name2,4-DIHYDRO-5-(4-CHLOROPHENYL)-2-ETHYL-4-METHYL-3H-1,2,4-TRIAZOLE-3-THIONE
1Identification
【Name】
2,4-DIHYDRO-5-(4-CHLOROPHENYL)-2-ETHYL-4-METHYL-3H-1,2,4-TRIAZOLE-3-THIONE
【CAS】
【MDL】
MFCD01678494
【English Synonyms】
【Formula】
C11 H12 Cl N3 S
【MolWeight】
253.756
【Inchi】
InChI=1S/C11H12ClN3S/c1-3-15-11(16)14(2)10(13-15)8-4-6-9(12)7-5-8/h4-7H,3H2,1-2H3
【InChIKey】
InChIKey=HAPBZVDUNLZWPE-UHFFFAOYSA-N
【SMILES】
CCn1c(=S)n(c(n1)c2ccc(cc2)Cl)C
【MOL File】
2,4-DIHYDRO-5-(4-CHL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,4-DIHYDRO-5-(4-CHLOROPHENYL)-2-ETHYL-4-METHYL-3H-1,2,4-TRIAZOLE-3-THIONE.cml