17373285 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 8 7 7 7 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 3 4 4 4 5 5 5 6 6 7 7 7 8 8 8 9 9 10 10 10 11 11 11 12 13 13 13 14 16 16 16 9 14 17 15 7 17 25 6 15 33 17 34 8 18 19 13 20 21 10 12 16 22 23 12 14 15 24 26 27 28 29 30 31 32 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 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 30 31 32 33 34 3.5878 5.6859 2.2218 4.8198 3.9538 3.9538 5.6859 5.6859 2.5878 2 3.0878 2.2788 6.5519 3.8968 3.0878 2.4067 4.8198 5.8979 6.2964 5.4738 5.0753 1.5693 1.486 1.6891 4.2829 6.8619 7.0888 6.2419 4.4865 1.8403 2.6589 2.9731 4.4908 3.4169 -2.9081 1.1307 0.1307 2.6307 0.1307 1.1307 3.1307 4.1307 -2.9081 -3.7172 -1.3693 -1.9571 4.6307 -1.9571 -0.3693 -4.6307 1.6307 2.5481 3.2384 4.7133 4.023 -3.2712 -4.0639 -1.7655 2.9407 4.0938 4.9407 5.1676 -1.7655 -4.8829 -5.1971 -4.3785 -0.1793 1.4407 8 8 8 8 8 1 1 9 11 11 9 14 12 12 14 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 273 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0732000600000000000000000000000000120000000000000000000000000018000001E04180000000C00C5D804B30182E200088C022152100083008024081B56A8990804C8882032A095118401007090022889871808000C00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[(5-ethylthiophene-3-carbonyl)amino]-3-propyl-thiourea IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[[(5-ethyl-3-thiophenyl)-oxomethyl]amino]-3-propylthiourea IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[(5-ethylthiophene-3-carbonyl)amino]-3-propylthiourea IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[(5-ethylthiophene-3-carbonyl)amino]-3-propylthiourea IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[(5-ethylthiophen-3-yl)carbonylamino]-3-propyl-thiourea IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[(5-ethylthiophene-3-carbonyl)amino]-3-propyl-thiourea InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C11H17N3OS2/c1-3-5-12-11(16)14-13-10(15)8-6-9(4-2)17-7-8/h6-7H,3-5H2,1-2H3,(H,13,15)(H2,12,14,16) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 KWQWZTSUZSKYET-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 271.08130452 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C11H17N3OS2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 271.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCNC(=S)NNC(=O)C1=CSC(=C1)CC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCNC(=S)NNC(=O)C1=CSC(=C1)CC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 114 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 271.08130452 17 0 0 0 0 0 0 0 1 -1