35014 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 17 16 7 7 7 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 5 5 6 6 7 7 7 9 9 9 12 12 12 11 10 12 7 8 15 8 10 8 11 10 11 9 13 14 16 17 18 19 20 21 1 1 1 1 1 1 2 1 1 2 2 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 4.5981 6.3301 2.866 4.5981 3.732 5.4641 2.866 3.732 2 5.4641 4.5981 7.1962 3.4766 3.0781 2.3291 2.31 1.4631 1.69 6.8862 7.7331 7.5062 -2.25 0.75 0.75 0.75 -0.75 -0.75 1.75 0.25 2.25 0.25 -1.25 0.25 1.6423 2.3326 0.44 2.7869 2.56 1.7131 -0.2869 -0.06 0.7869 8 8 8 8 8 8 4 4 5 5 6 6 8 10 8 11 10 11 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 137 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C06380004400000000000000000000000000000000002C0000000000000000018000001C06100000000000C10004831006C810082000000024000050094000800100800800008008000008000000000810020000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-chloro-N-ethyl-6-methylsulfanyl-1,3,5-triazin-2-amine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-chloro-N-ethyl-6-(methylthio)-1,3,5-triazin-2-amine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-chloro-<I>N</I>-ethyl-6-methylsulfanyl-1,3,5-triazin-2-amine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-chloro-N-ethyl-6-methylsulfanyl-1,3,5-triazin-2-amine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 4-chloranyl-N-ethyl-6-methylsulfanyl-1,3,5-triazin-2-amine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 [4-chloro-6-(methylthio)-s-triazin-2-yl]-ethyl-amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C6H9ClN4S/c1-3-8-5-9-4(7)10-6(11-5)12-2/h3H2,1-2H3,(H,8,9,10,11) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 DYACWKSWPIBIJU-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 204.0236452 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C6H9ClN4S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 204.68 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCNC1=NC(=NC(=N1)Cl)SC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCNC1=NC(=NC(=N1)Cl)SC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 76 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 204.0236452 12 0 0 0 0 0 0 0 1 -1