2360-40-9
2-METHYL-4-PHENYL-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE
Name2-METHYL-4-PHENYL-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE
1Identification
【Name】
2-METHYL-4-PHENYL-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE
【CAS】
【MDL】
MFCD01569026
【English Synonyms】
【Formula】
C9 H9 N3 S
【MolWeight】
191.257
【Inchi】
InChI=1S/C9H9N3S/c1-11-9(13)12(7-10-11)8-5-3-2-4-6-8/h2-7H,1H3
【InChIKey】
InChIKey=AJCIJGNSDRIHBH-UHFFFAOYSA-N
【SMILES】
Cn1c(=S)n(cn1)c2ccccc2
【MOL File】
2-METHYL-4-PHENYL-2,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-METHYL-4-PHENYL-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE.cml