17370784 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 16 16 8 7 7 7 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 2 3 4 4 4 5 5 5 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 12 15 16 16 16 12 15 13 14 7 13 21 6 13 27 14 28 8 17 18 9 19 20 22 23 24 11 14 15 12 25 16 26 29 30 31 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 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 3.5878 5.6859 2.2218 4.8198 3.9538 3.9538 5.6859 5.6859 6.5519 3.0878 2.2788 2.5878 4.8198 3.0878 3.8968 2 5.8979 6.2964 5.4738 5.0753 4.2829 6.8619 7.0888 6.2419 1.6891 4.4865 3.4169 4.4908 1.4984 1.6356 2.5016 -3.3649 0.6739 -0.3261 2.1739 0.6739 -0.3261 2.6739 3.6739 4.1739 -1.8261 -2.4139 -3.3649 1.1739 -0.8261 -2.4139 -4.1739 2.0913 2.7816 4.2565 3.5663 2.4839 3.637 4.4839 4.7109 -2.2223 -2.2223 0.9839 -0.6361 -3.8095 -4.6755 -4.5384 8 8 8 8 8 1 1 10 10 11 12 15 11 15 12 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 260 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0732000600000000000000000000000000120000000000000000000000000018000001E04180000000C00C5D804B30182E200088C022152100083008024081B56A8990804C8882032A095118401007090022889861800000C00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[(5-methylthiophene-3-carbonyl)amino]-3-propyl-thiourea IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[[(5-methyl-3-thiophenyl)-oxomethyl]amino]-3-propylthiourea IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[(5-methylthiophene-3-carbonyl)amino]-3-propylthiourea IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[(5-methylthiophene-3-carbonyl)amino]-3-propylthiourea IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[(5-methylthiophen-3-yl)carbonylamino]-3-propyl-thiourea IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[(5-methylthiophene-3-carbonyl)amino]-3-propyl-thiourea InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H15N3OS2/c1-3-4-11-10(15)13-12-9(14)8-5-7(2)16-6-8/h5-6H,3-4H2,1-2H3,(H,12,14)(H2,11,13,15) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 OAATYRSSOZTCLD-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 257.06565446 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H15N3OS2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 257.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCNC(=S)NNC(=O)C1=CSC(=C1)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCNC(=S)NNC(=O)C1=CSC(=C1)C 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 2021.05.07 257.06565446 16 0 0 0 0 0 0 0 1 -1