Bensulid
Identifikacija
CAS registarski broj
741-58-2 Y
PubChem [1] [2]
12932
ChemSpider [3]
12397 Y
UNII
9882BW2Q2S Y
KEGG [4]
C18703
Jmol -3D slike
Slika 1
CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1
InChI=1S/C14H24NO4PS3/c1-12(2)18-20(21,19-13(3)4)22-11-10-15-23(16,17)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3 Y
Kod: RRNIZKPFKNDSRS-UHFFFAOYSA-N Y
InChI=1/C14H24NO4PS3/c1-12(2)18-20(21,19-13(3)4)22-11-10-15-23(16,17)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3
Svojstva
Molekulska formula
C14 H24 NO4 PS3
Molarna masa
397.51 g mol−1
Ukoliko nije drugačije napomenuto, podaci se odnose na standardno stanje (25 °C, 100 kPa) materijala
Infobox references
Bensulid je organsko jedinjenje , koje sadrži 14 atoma ugljenika i ima molekulsku masu od 397,513 Da .
↑ Li Q, Cheng T, Wang Y, Bryant SH (2010). "PubChem as a public resource for drug discovery." . Drug Discov Today 15 (23-24): 1052–7. doi :10.1016/j.drudis.2010.10.003 . PMID 20970519 . edit
↑ Evan E. Bolton, Yanli Wang, Paul A. Thiessen, Stephen H. Bryant (2008). "Chapter 12 PubChem: Integrated Platform of Small Molecules and Biological Activities". Annual Reports in Computational Chemistry 4 : 217–241. doi :10.1016/S1574-1400(08)00012-1 .
↑ Hettne KM, Williams AJ, van Mulligen EM, Kleinjans J, Tkachenko V, Kors JA. (2010). "Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining" . J Cheminform 2 (1): 3. doi :10.1186/1758-2946-2-3 . PMID 20331846 . edit
↑ Joanne Wixon, Douglas Kell (2000). "Website Review: The Kyoto Encyclopedia of Genes and Genomes — KEGG" . Yeast 17 (1): 48–55. doi :10.1002/(SICI)1097-0061(200004)17:1<48::AID-YEA2>3.0.CO;2-H .
↑ Ghose, A.K., Viswanadhan V.N., and Wendoloski, J.J. (1998). "Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods" . J. Phys. Chem. A 102 : 3762–3772. doi :10.1021/jp980230o .
↑ Tetko IV, Tanchuk VY, Kasheva TN, Villa AE. (2001). "Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices" . Chem Inf. Comput. Sci. 41 : 1488–1493. doi :10.1021/ci000392t . PMID 11749573 .
↑ Ertl P., Rohde B., Selzer P. (2000). "Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties" . J. Med. Chem. 43 : 3714–3717. doi :10.1021/jm000942e . PMID 11020286 .