10668 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 30 31 32 33 34 16 16 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 4 5 5 6 6 7 7 7 8 8 8 9 9 9 10 11 12 12 13 13 14 14 15 15 16 17 10 16 11 17 4 8 9 5 7 18 6 19 10 11 20 21 22 23 24 25 26 27 28 12 13 14 29 15 30 16 31 17 32 33 34 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 2 1 1 1 4 3 5 7 18 3 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 30 31 32 33 34 5.4071 5.5686 2.866 3.732 3.732 4.5981 4.5981 2.866 2 4.5981 5.4641 3.7891 6.3776 4.0981 7.0468 5.0981 6.5468 3.732 3.1951 4.9081 5.135 4.2881 3.486 2.866 2.246 1.69 1.4631 2.31 3.1994 6.5066 3.7336 7.6634 5.4625 6.799 -1.8184 1.2639 1.7694 1.2694 0.2694 -0.2306 1.7694 2.7694 1.2694 -1.2306 0.2694 -1.8184 -0.1373 -2.7694 0.6058 -2.7694 1.4719 1.8894 -0.0406 1.2325 2.0794 2.3064 2.7694 3.3894 2.7694 1.8064 0.9594 0.7325 -1.6268 -0.7438 -3.271 0.541 -3.271 2.0382 8 8 8 8 3 8 8 8 8 8 8 1 1 2 2 4 10 11 12 13 14 15 10 16 11 17 7 12 13 14 15 16 17 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 257 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E072000060000000000000000000000000012240000000000000000000000001E000001C04000000000C28C55004B20183000008840220420000830080200810488818080088082022A011108020002080002888070080800000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,N-dimethyl-4,4-bis(2-thienyl)but-3-en-2-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,N-dimethyl-4,4-dithiophen-2-yl-3-buten-2-amine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>,<I>N</I>-dimethyl-4,4-dithiophen-2-ylbut-3-en-2-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,N-dimethyl-4,4-dithiophen-2-ylbut-3-en-2-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,N-dimethyl-4,4-dithiophen-2-yl-but-3-en-2-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dimethyl-[1-methyl-3,3-bis(2-thienyl)allyl]amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H17NS2/c1-11(15(2)3)10-12(13-6-4-8-16-13)14-7-5-9-17-14/h4-11H,1-3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 CANBGVXYBPOLRR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 263.08024189 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H17NS2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 263.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C=C(C1=CC=CS1)C2=CC=CS2)N(C)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C=C(C1=CC=CS1)C2=CC=CS2)N(C)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 59.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 263.08024189 17 1 0 1 0 0 0 0 1 -1