21358-24-7
4-ALLYL-5-[(4-CHLORO-2-METHYLPHENOXY)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOL
Name4-ALLYL-5-[(4-CHLORO-2-METHYLPHENOXY)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOL
pro_formulaC13 H14 Cl N3 O S
1Identification
【Name】
4-ALLYL-5-[(4-CHLORO-2-METHYLPHENOXY)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD01952934
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C13 H14 Cl N3 O S
【pro_molWeight】
295.793
【Inchi】
InChI=1S/C13H14ClN3OS/c1-3-6-17-12(15-16-13(17)19)8-18-11-5-4-10(14)7-9(11)2/h3-5,7H,1,6,8H2,2H3,(H,16,19)
【InChIKey】
InChIKey=NBZQHSIMJLTMAX-UHFFFAOYSA-N
【SMILES】
Cc1cc(ccc1OCc2nnc(n2CC=C)S)Cl
【MOL File】
4-ALLYL-5-[(4-CHLORO….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-ALLYL-5-[(4-CHLORO-2-METHYLPHENOXY)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOL.cml