AC1LP2EI
2-N-(4-methylphenyl)-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
Also Known As: ChemDiv2_004525|IDI1_003240|N-(4-methylphenyl)-6-{[(1-phenyl-1H-tetrazol-5-yl)thio]methyl}-1,3,5-triazine-2,4-diamine|2-N-(4-methylphenyl)-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine|6-(((1-phenyl-1H-tetrazol-5-yl)thio)methyl)-N2-(p-tolyl)-1,3,5-triazine-2,4-diamine|(4Z)-4-[(4-methylphenyl)imino]-6-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-4,5-dihydro-1,3,5-triazin-2-amine|N-(4-methylphenyl)-6-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine
| Molecular Formula | C18H17N9S |
|---|---|
| Molecular Weight | 391.13275 g/mol |
| LogP | 2.77382 |
| Topological Polar Surface Area | 120.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.13275 |
| Monoisotopic Mass | 391.13275 |
| Heavy Atoms | 28 |
| Complexity | 1064.1287 |
Chemical Identifiers
| CAS Number | 522652-29-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=NN=NN3C4=CC=CC=C4 |
Product Overview
AC1LP2EI (CAS 522652-29-5), with molecular formula C18H17N9S and molecular weight 391.13275 g/mol. IUPAC: 2-N-(4-methylphenyl)-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine.