<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-03-31 21:06:31 UTC</creation_date>
  <update_date>2026-05-20 19:29:27 UTC</update_date>
  <accession/>
  <common_name>Aureothricin</common_name>
  <class>SmallMolecule</class>
  <description>Aureothricin is an organic nitrogen compound with the chemical formula C9H10N2O2S2 and an average molecular weight of 242.31 g/mol. Aureothricin belongs to the n-arylamides, a subclass of organonitrogen compounds within the organic compounds. This compound is found in or released from one recorded source: healthcare, pharmaceuticals &amp; veterinary products, specifically antibiotics. Recorded exposure routes for the substance include inhalation and oral administration.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>4-Methyl-6-propionamido-1,2-dithiolo[4,3-b]pyrrol-5(4H)-one</synonym>
    <synonym>5-Methyl-3-propionamidopyrrolin-4-one[4,3-d]-1,2-dithiole</synonym>
    <synonym>aureothricin</synonym>
    <synonym>Farcinicin</synonym>
    <synonym>MFCD07370147</synonym>
    <synonym>N-(4,5-Dihydro-4-methyl-5-oxo-1,2-dithiolopyrrol-6-yl)-propanamide</synonym>
    <synonym>N-(4,5-dihydro-4-methyl-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)-propanamide</synonym>
    <synonym>N-(4,5-Dihydro-4-methyl-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)propanamide</synonym>
    <synonym>N-(4-Methyl-5-oxo-4,5-dihydro[1,2]dithiolo[4,3-b]pyrrol-6-yl)propanamide</synonym>
    <synonym>N-(4-methyl-5-oxo-6-dithiolo[3,4-d]pyrrolyl)propanamide</synonym>
    <synonym>N-(4-methyl-5-oxo-dithiolo[3,4-d]pyrrol-6-yl)propanamide</synonym>
    <synonym>N-(4-methyl-5-oxo-[1,2]dithiolo[3,4-d]pyrrol-6-yl)propanamide</synonym>
    <synonym>N-(4-methyl-5-oxodithiolo[3,4-d]pyrrol-6-yl)propanamide</synonym>
    <synonym>N-(5-keto-4-methyl-dithiolo[3,4-d]pyrrol-6-yl)propionamide</synonym>
    <synonym>Propanamide, N-(4,5-dihydro-4-methyl-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)-</synonym>
    <synonym>propanoyl-pyrrothine</synonym>
    <synonym>Propionopyrrothine</synonym>
    <synonym>Propionopyrrothine, 5-Methyl-3-propionamidopyrrolin-4-one[4,3-d]-1,2-dithiole</synonym>
    <synonym>Propionylpyrrothione</synonym>
    <synonym>UNII-0KX00L19Q2</synonym>
    <synonym>UNII:0KX00L19Q2</synonym>
    <synonym>[574-95-8]</synonym>
  </synonyms>
  <chemical_formula>C9H10N2O2S2</chemical_formula>
  <average_molecular_weight>242.31</average_molecular_weight>
  <monisotopic_moleculate_weight>242.018369</monisotopic_moleculate_weight>
  <iupac_name>N-{4-methyl-5-oxo-4H,5H-[1,2]dithiolo[4,3-b]pyrrol-6-yl}propanimidic acid</iupac_name>
  <traditional_iupac>N-{4-methyl-5-oxo-[1,2]dithiolo[4,3-b]pyrrol-6-yl}propanimidic acid</traditional_iupac>
  <cas_registry_number>574-95-8</cas_registry_number>
  <smiles>CCC(=O)NC1=C2SSC=C2N(C)C1=O</smiles>
  <inchi>InChI=1S/C9H10N2O2S2/c1-3-6(12)10-7-8-5(4-14-15-8)11(2)9(7)13/h4H,3H2,1-2H3,(H,10,12)</inchi>
  <inchikey>UGZYFXMSMFMTSM-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic nitrogen compounds</super_class>
    <class>Organonitrogen compounds</class>
    <sub_class>N-arylamides</sub_class>
    <direct_parent>N-arylamides</direct_parent>
    <alternate_parents>
      <alternative_parent>1,2-dithioles</alternative_parent>
      <alternative_parent>Azacyclic compounds</alternative_parent>
      <alternative_parent>Carbonyl compounds</alternative_parent>
      <alternative_parent>Heteroaromatic compounds</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Lactams</alternative_parent>
      <alternative_parent>N-methylpyrroles</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Organopnictogen compounds</alternative_parent>
      <alternative_parent>Secondary carboxylic acid amides</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>1,2-dithiole</substituent>
      <substituent>Aromatic heteropolycyclic compound</substituent>
      <substituent>Azacycle</substituent>
      <substituent>Carbonyl group</substituent>
      <substituent>Carboxamide group</substituent>
      <substituent>Carboxylic acid derivative</substituent>
      <substituent>Dithiole</substituent>
      <substituent>Heteroaromatic compound</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Lactam</substituent>
      <substituent>N-arylamide</substituent>
      <substituent>N-methylpyrrole</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organoheterocyclic compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Organopnictogen compound</substituent>
      <substituent>Pyrrole</substituent>
      <substituent>Secondary carboxylic acid amide</substituent>
      <substituent>Substituted pyrrole</substituent>
    </substituents>
    <molecular_framework>Aromatic heteropolycyclic compounds</molecular_framework>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties/>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>1.25</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-2.20</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>1.51e+00 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>0.99</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>5.34</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>0.22</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>N-{4-methyl-5-oxo-4H,5H-[1,2]dithiolo[4,3-b]pyrrol-6-yl}propanimidic acid</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>242.31</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>242.018369</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCC(=O)NC1=C2SSC=C2N(C)C1=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C9H10N2O2S2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C9H10N2O2S2/c1-3-6(12)10-7-8-5(4-14-15-8)11(2)9(7)13/h4H,3H2,1-2H3,(H,10,12)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>UGZYFXMSMFMTSM-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>52.9</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>65.5</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>24.07</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7227a05460&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>68460</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>61737</chemspider_id>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
  <actor_id/>
  <pdb_id/>
  <wikipidia/>
  <general_references/>
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  </targets>
</compound>
