879612-68-7
4-ETHYL-5-(2-ISOPROPYL-PHENOXYMETHYL)-4H-[1,2,4]TRIAZOLE-3-THIOL
Name4-ETHYL-5-(2-ISOPROPYL-PHENOXYMETHYL)-4H-[1,2,4]TRIAZOLE-3-THIOL
1Identification
【Name】
4-ETHYL-5-(2-ISOPROPYL-PHENOXYMETHYL)-4H-[1,2,4]TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD08684893
【English Synonyms】
【Formula】
C14 H19 N3 O S
【MolWeight】
277.39
【Inchi】
InChI=1S/C14H19N3OS/c1-4-17-13(15-16-14(17)19)9-18-12-8-6-5-7-11(12)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,16,19)
【InChIKey】
InChIKey=WHXJBODLINNJSJ-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1S)COc2ccccc2C(C)C
【MOL File】
4-ETHYL-5-(2-ISOPROP….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-ETHYL-5-(2-ISOPROPYL-PHENOXYMETHYL)-4H-[1,2,4]TRIAZOLE-3-THIOL.cml