473368 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 16 7 7 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 6 6 7 7 8 8 9 10 3 4 5 10 10 15 5 6 7 8 11 9 12 9 13 14 16 1 1 1 2 1 1 1 2 2 1 1 1 1 2 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 4.666 4.666 5.5321 3.8 3.8 2.9061 2.9061 2 2 5.5321 2.9132 2.9132 1.4643 1.4643 6.069 6.069 -1 1 -0.5 -0.5 0.5 -1.0347 1.0347 -0.5208 0.5208 0.5 -1.6546 1.6546 -0.8329 0.8329 -0.81 0.81 8 8 8 8 8 8 4 4 5 6 7 8 5 6 7 8 9 9 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 147 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 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 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 0000037180630000400000000000000000000000000000000000304000000000000000810000001C0410400000080881500431C182400000A0002443640082001120020008889C00648808202280919180200060800008C8071000000000000000000001000000000000000200000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2H-1,2,4-benzothiadiazine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2H-1,2,4-benzothiadiazine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2<I>H</I>-1,2,4-benzothiadiazine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2H-1,2,4-benzothiadiazine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2H-1,2,4-benzothiadiazine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2H-1,2,4-benzothiadiazine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C7H6N2S/c1-2-4-7-6(3-1)8-5-9-10-7/h1-5H,(H,8,9) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 QRKDOAWSBBGNLE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 150.02516937 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C7H6N2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 150.20 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)N=CNS2 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)N=CNS2 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 49.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 150.02516937 10 0 0 0 0 0 0 0 1 -1