590353-81-4
4-ALLYL-5-[(2-CHLORO-5-METHYLPHENOXY)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOL
Name4-ALLYL-5-[(2-CHLORO-5-METHYLPHENOXY)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOL
1Identification
【Name】
4-ALLYL-5-[(2-CHLORO-5-METHYLPHENOXY)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD03945743
【English Synonyms】
【Formula】
C13 H14 Cl N3 O S
【MolWeight】
295.793
【Inchi】
InChI=1S/C13H14ClN3OS/c1-3-6-17-12(15-16-13(17)19)8-18-11-7-9(2)4-5-10(11)14/h3-5,7H,1,6,8H2,2H3,(H,16,19)
【InChIKey】
InChIKey=PREAFWKUAPOBKJ-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)OCc2nnc(n2CC=C)S)Cl
【MOL File】
4-ALLYL-5-[(2-CHLORO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-ALLYL-5-[(2-CHLORO-5-METHYLPHENOXY)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOL.cml