590376-41-3
4-ETHYL-5-(2-PHENYLETHYL)-4H-1,2,4-TRIAZOLE-3-THIOL
Name4-ETHYL-5-(2-PHENYLETHYL)-4H-1,2,4-TRIAZOLE-3-THIOL
1Identification
【Name】
4-ETHYL-5-(2-PHENYLETHYL)-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD03946377
【English Synonyms】
【Formula】
C12 H15 N3 S
【MolWeight】
233.337
【Inchi】
InChI=1S/C12H15N3S/c1-2-15-11(13-14-12(15)16)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,16)
【InChIKey】
InChIKey=IHABNHSBRZLTSX-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1S)CCc2ccccc2
【MOL File】
4-ETHYL-5-(2-PHENYLE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-ETHYL-5-(2-PHENYLETHYL)-4H-1,2,4-TRIAZOLE-3-THIOL.cml