{"id":49691,"date":"2024-06-11T18:02:27","date_gmt":"2024-06-11T10:02:27","guid":{"rendered":"http:\/\/www.newtopchem.com\/archives\/49691"},"modified":"2024-06-11T18:02:27","modified_gmt":"2024-06-11T10:02:27","slug":"sulfinpyrazone","status":"publish","type":"post","link":"http:\/\/www.newtopchem.com\/archives\/49691","title":{"rendered":"Sulfinpyrazone","gt_translate_keys":[{"key":"rendered","format":"text"}]},"content":{"rendered":"<p><img decoding=\"async\" loading=\"lazy\" class=\"alignnone size-full wp-image-49690\" src=\"http:\/\/www.newtopchem.com\/wp-content\/uploads\/2024\/06\/8793b2474c72479c97d8875efb6cdd96.gif\" width=\"353\" height=\"227\" alt=\"Sulfinpyrazone Structural Formula\" \/><\/p>\n<p>Structural formula<\/p>\n<table class=\"summary-table table table-striped table-bordered\">\n<col width=\"90\" \/>\n<tbody>\n<tr>\n<th scope=\"row\">Business number<\/th>\n<td>0194<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular formula<\/th>\n<td>C23H20N2O3S<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular weight<\/th>\n<td>404.48<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">label<\/th>\n<td>\n<p>                         1,2-diphenyl-4-(2-(phenylsulfinyl)ethyl)-3,5-pyrazolidinedione,<\/p>\n<p>                         1,2-Diphenyl-4-(phenylsulfinylethyl)-3,5-pyrazolidinedione<\/p>\n<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n<ul class=\"nav nav-tabs\">\n<li class=\"active\"><a href=\"#bh\">Numbering system<\/a><\/li>\n<li><a href=\"#wx\">Physical property data<\/a><\/li>\n<li><a href=\"#dl\">Toxicological data<\/a><\/li>\n<li><a href=\"#st\">Ecological data<\/a><\/li>\n<li><a href=\"#fz\">Molecular structure data<\/a><\/li>\n<li><a href=\"#js\">Computing chemical data<\/a><\/li>\n<li class=\"dropdown pull-right\">\n                     <a href=\"\" class=\"dropdown-toggle\">More <span class=\"caret\"><\/span><\/a><\/p>\n<ul class=\"dropdown-menu\" role=\"menu\">\n<li><a href=\"#xz\">Properties and Stability<\/a><\/li>\n<li><a href=\"#zc\">Storage method<\/a><\/li>\n<li><a href=\"#hc\">Synthesis method<\/a><\/li>\n<li><a href=\"#yt\">Purpose<\/a><\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<h2 id=\"bh\">Numbering system<\/h2>\n<p><b>CAS number:<\/b>57-96-5<\/p>\n<p><b>MDL number:<\/b>MFCD00057279<\/p>\n<p><b>EINECS number:<\/b>200-357-4<\/p>\n<p><b>RTECS number:<\/b>UQ8575000<\/p>\n<p><b>BRN number:<\/b>None<\/p>\n<p><b>PubChem number:<\/b>24899841<\/p>\n<h2 id=\"wx\">Physical property data<\/h2>\n<p>\n     None\n     <\/p>\n<h2 id=\"dl\">Toxicological data<\/h2>\n<p>\n     <SPAN>1<\/SPAN><SPAN>, acute toxicity: human oral <SPAN>TDLo<\/SPAN>: <SPAN>29mg\/kg<\/SPAN>; rat oral <SPAN>LD50<\/SPAN>: <SPAN>358mg\/kg<\/SPAN>; rat intravenous  <SPAN>LDLo<\/SPAN>: <SPAN>154mg\/kg<\/SPAN>; mouse oral <SPAN>LD50<\/SPAN>: <SPAN>.298mg\/kg<\/SPAN>;<\/SPAN><br \/>\n <SPAN> Mouse abdominal cavity <SPAN>LD50<\/SPAN>: <SPAN>100mg\/kg<\/SPAN>; Mouse vein <SPAN>LD50<\/SPAN>: <SPAN>240mg\/kg<\/SPAN>; Rabbit intravenous <SPAN>LD50<\/SPAN>: <SPAN>195mg\/  kg<\/SPAN><\/SPAN><br \/>\n <SPAN><SPAN><SPAN>2<\/SPAN><SPAN>, mutagenicity: sex chromosomes  Loss and <SPAN>nondisjunctionTEST<\/SPAN> system: mold <SPAN>&#8211;<\/SPAN> Aspergillus nidulans: <SPAN>1mg\/L<\/SPAN>  <\/SPAN><\/SPAN><\/SPAN>\n     <\/p>\n<h2 id=\"st\">Ecological data<\/h2>\n<p>\n     None\n     <\/p>\n<h2 id=\"fz\">Molecular structure data<\/h2>\n<p>\n     <P class=\"MsoNormal\" align=\"left\"><SPAN>5. Molecular property data:<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>1. <SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Molar refractive index: <\/SPAN>  <SPAN>114.13<\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>2. <SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Molar volume (<\/SPAN><SPAN>m<SUP>3<\/SUP>\/mol<\/SPAN><SPAN>\uff09\uff1a<\/SPAN><SPAN>290.0<\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>3. <SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>isotonic specific volume (<\/SPAN><SPAN>90.2K<\/SPAN><SPAN>):<\/SPAN><SPAN>856.1<\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>4. <SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Surface Tension (<\/SPAN><SPAN>dyne\/cm<\/SPAN><SPAN>):<\/SPAN><SPAN>75.9<\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>5. <SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Polarizability<\/SPAN><SPAN>\uff08<\/SPAN><SPAN>10<SUP>-24<\/SUP>cm<SUP>3<\/SUP><\/SPAN><SPAN>): <\/SPAN><SPAN>45.24<\/SPAN><\/P>\n     <\/p>\n<h2 id=\"js\">Compute chemical data<\/h2>\n<p><p>1. Reference value for hydrophobic parameter calculation (XlogP): None<\/P><\/p>\n<p>2. Number of hydrogen bond donors: 0<\/p>\n<p>3. Number of hydrogen bond acceptors: 4<\/p>\n<p>4. Number of rotatable chemical bonds: 6<\/p>\n<p>5. Number of tautomers: 2<\/p>\n<p>6. Topological molecule polar surface area 76.9<\/p>\n<p>7. Number of heavy atoms: 29<\/p>\n<p>8. Surface charge: 0<\/p>\n<p>9. Complexity: 571<\/p>\n<p>10. Number of isotope atomsAmount: 0<\/p>\n<p>11. Determine the number of atomic stereocenters: 0<\/p>\n<p>12. Uncertain number of atomic stereocenters: 1<\/p>\n<p>13. Determine the chemical bond position  Number of stereocenters: 0<\/p>\n<p>14. Number of uncertain chemical bond stereocenters: 0<\/p>\n<p>15. Number of covalent bond units: 1<\/p>\n<\/p>\n<h2 id=\"xz\">Properties and stability<\/h2>\n<p>\n     None\n     <\/p>\n<h2 id=\"zc\">Storage method<\/h2>\n<p>\n     None\n     <\/p>\n<h2 id=\"hc\">Synthesis method<\/h2>\n<p>\n     None\n     <\/p>\n<h2 id=\"yt\">Purpose<\/h2>\n<p>\n     None\n     <\/p>\n<p>     extended-reading:<a href=\"https:\/\/www.bdmaee.net\/sponge-foaming-catalyst-smp\/\">https:\/\/www.bdmaee.net\/sponge-foaming-catalyst-smp\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/81.jpg\">https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/81.jpg<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/delayed-amine-a-400\/\">https:\/\/www.bdmaee.net\/delayed-amine-a-400\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/33-9.jpg\">https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/33-9.jpg<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/776\">https:\/\/www.newtopchem.com\/archives\/776<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/jeffcat-dpa-catalyst-cas63469-23-8-huntsman\/\">https:\/\/www.bdmaee.net\/jeffcat-dpa-catalyst-cas63469-23-8-huntsman\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/kosmos-29-catalyst-cas301-10-0-degussa-ag\/\">https:\/\/www.bdmaee.net\/kosmos-29-catalyst-cas301-10-0-degussa-ag\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/fentacat-10-catalyst-cas100-42-5-solvay\/\">https:\/\/www.bdmaee.net\/fentacat-10-catalyst-cas100-42-5-solvay\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/cas-818-08-6-2\/\">https:\/\/www.bdmaee.net\/cas-818-08-6-2\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/44682\">https:\/\/www.newtopchem.com\/archives\/44682<\/a><\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"excerpt":{"rendered":"<p>Structural formula Business number 0194 Molecular formu&#8230;<\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"author":1,"featured_media":49690,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":[],"categories":[6],"tags":[15522],"gt_translate_keys":[{"key":"link","format":"url"}],"_links":{"self":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/49691"}],"collection":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/comments?post=49691"}],"version-history":[{"count":0,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/49691\/revisions"}],"wp:featuredmedia":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media\/49690"}],"wp:attachment":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media?parent=49691"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/categories?post=49691"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/tags?post=49691"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}