<?xml version="1.0"?>
<molecule xmlns="http://www.xml-cml.org/schema/cml2/core" id="CS_thiophene">
 <formula concise=" C 4 H 4 S 1 "/>
 <identifier version="InChI/1">
  <basic>1/C4H4S/c1-2-4-5-3-1/h1-4H</basic>
 </identifier>
 <name convention="IUPAC">Thiophene</name>
 <atomArray>
  <atom id="a1" elementType="C" x3="1.126214" y3="0.765886" z3="0.000000"/>
  <atom id="a2" elementType="C" x3="0.819345" y3="-0.564955" z3="0.000000"/>
  <atom id="a3" elementType="C" x3="-0.598383" y3="-0.795127" z3="0.000000"/>
  <atom id="a4" elementType="C" x3="-1.310706" y3="0.370165" z3="0.000000"/>
  <atom id="a5" elementType="S" x3="-0.285330" y3="1.757144" z3="0.000000"/>
  <atom id="a6" elementType="H" x3="2.130424" y3="1.185837" z3="0.000000"/>
  <atom id="a7" elementType="H" x3="1.548377" y3="-1.375303" z3="0.000000"/>
  <atom id="a8" elementType="H" x3="-1.033768" y3="-1.794407" z3="0.000000"/>
  <atom id="a9" elementType="H" x3="-2.396173" y3="0.450760" z3="0.000000"/>
 </atomArray>
 <bondArray>
  <bond atomRefs2="a1 a2" order="2"/>
  <bond atomRefs2="a2 a3" order="1"/>
  <bond atomRefs2="a3 a4" order="2"/>
  <bond atomRefs2="a4 a5" order="1"/>
  <bond atomRefs2="a5 a1" order="1"/>
  <bond atomRefs2="a1 a6" order="1"/>
  <bond atomRefs2="a2 a7" order="1"/>
  <bond atomRefs2="a3 a8" order="1"/>
  <bond atomRefs2="a4 a9" order="1"/>
 </bondArray>
 <list>
  <propertyList>
   <property dictRef="cml:molwt" title="molecular weight">
    <scalar dataType="xsd:decimal" dictRef="cml:molwt" units="unit:g">84.1396</scalar>
   </property>
   <property dictRef="chemwt:exact_molwt" title="exact molecular weight">
    <scalar dataType="xsd:decimal" dictRef="chemwt:exact_molwt" units="unit:g">84.0033711</scalar>
   </property>
   <property dictRef="cml:mpt" title="melting point">
    <scalar dataType="xsd:decimal" errorValue="1.0" dictRef="cml:mpt" units="unit:celsius">-38</scalar>
   </property>
   <property dictRef="cml:bpt" title="boiling point">
    <scalar dataType="xsd:decimal" errorValue="1.0" dictRef="cml:bpt" units="unit:celsius">84</scalar>
   </property>
  </propertyList>
 </list>
</molecule>
