190507 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 16 9 9 7 7 7 7 7 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 4 5 5 5 6 6 7 7 8 8 9 9 9 10 10 10 13 13 13 14 14 14 16 15 16 16 16 9 11 21 10 12 22 11 12 12 15 11 15 13 17 18 14 19 20 23 24 25 26 27 28 29 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 5.4641 4.5981 3.732 7.1962 3.732 5.4641 4.5981 6.3301 8.0622 2.866 6.3301 4.5981 8.9282 2 5.4641 4.5981 7.6636 8.4607 2.4675 3.2646 7.1962 3.732 9.2382 9.4651 8.6182 2.31 1.4631 1.69 4.5981 -1.06 -2.56 -1.06 1.94 1.94 1.94 0.44 0.44 1.44 1.44 1.44 1.44 1.94 1.94 -0.06 -1.56 0.9651 0.9651 0.9651 0.9651 2.56 2.56 1.4031 2.25 2.4769 2.4769 2.25 1.4031 -0.94 8 8 8 8 8 8 6 6 7 7 8 8 11 12 12 15 11 15 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 183 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 8 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07381804000000000000000000000000000000000002C0000000000000000018000001D04100000000000C10014831006C810082000000024000050094000800100800800008008000008000000000810020000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-(difluoromethylsulfanyl)-N2,N4-diethyl-1,3,5-triazine-2,4-diamine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-(difluoromethylthio)-N2,N4-diethyl-1,3,5-triazine-2,4-diamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-(difluoromethylsulfanyl)-2-<I>N</I>,4-<I>N</I>-diethyl-1,3,5-triazine-2,4-diamine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-(difluoromethylsulfanyl)-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-[bis(fluoranyl)methylsulfanyl]-N2,N4-diethyl-1,3,5-triazine-2,4-diamine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [4-(difluoromethylthio)-6-(ethylamino)-s-triazin-2-yl]-ethyl-amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C8H13F2N5S/c1-3-11-6-13-7(12-4-2)15-8(14-6)16-5(9)10/h5H,3-4H2,1-2H3,(H2,11,12,13,14,15) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 DFKDJMGCLPVSIK-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 249.08597293 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C8H13F2N5S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 249.29 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCNC1=NC(=NC(=N1)SC(F)F)NCC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCNC1=NC(=NC(=N1)SC(F)F)NCC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 88 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 249.08597293 16 0 0 0 0 0 0 0 1 -1