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Revision as of 13:00, 10 January 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 447556549 of page Thioacetazone for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CAS_number').← Previous edit Revision as of 13:01, 10 January 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 465942500 of page Thioacetic_acid for the Chem/Drugbox validation project (updated: '').Next edit →
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{{ambox | text = This page contains a copy of the infobox ({{tl|drugbox}}) taken from revid of page ] with values updated to verified values.}} {{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) taken from revid of page ] with values updated to verified values.}}
{{Drugbox {{chembox
| verifiedrevid = 443222189 | verifiedrevid = 444225850
|ImageFile= Thioacetic-acid-2D-skeletal.png
| IUPAC_name = ''N''-{4-phenyl}acetamide
|ImageFile1= Thioacetic-acid-3D-balls.png
| image = Thioacetazone.svg
|ImageSize=

|IUPACName=Ethanethioic ''S''-acid
<!--Clinical data-->
|OtherNames=Thioacetic ''S''-acid<br>Thiolacetic acid
| tradename =
|Section1={{Chembox Identifiers
| Drugs.com = {{drugs.com|international|thioacetazone}}
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| routes_of_administration = Oral
⚫ | ChemSpiderID = 10052

<!--Identifiers-->
| CAS_number = <!-- blanked - oldvalue: 104-06-3 -->
| ATC_prefix = J04
| ATC_suffix = AM04
| ChEMBL = 375492
⚫ | PubChem = 9568512
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | ChemSpiderID = 7843221
| UNII_Ref = {{fdacite|correct|FDA}} | UNII_Ref = {{fdacite|correct|FDA}}
| UNII = MMG78X7SSR | UNII = PS92MLC0FQ
| KEGG_Ref = {{keggcite|correct|kegg}} | KEGG_Ref = {{keggcite|correct|kegg}}
| KEGG = D08584 | KEGG = C01857
| InChI = 1/C2H4OS/c1-2(3)4/h1H3,(H,3,4)

| InChIKey = DUYAAUVXQSMXQP-UHFFFAOYAO
<!--Chemical data-->
| C=10 | H=12 | N=4 | O=1 | S=1
| molecular_weight = 236.3
| smiles = O=C(Nc1ccc(cc1)\C=N\NC(=S)N)C
| InChI = 1/C10H12N4OS/c1-7(15)13-9-4-2-8(3-5-9)6-12-14-10(11)16/h2-6H,1H3,(H,13,15)(H3,11,14,16)/b12-6+
| InChIKey = SRVJKTDHMYAMHA-WUXMJOGZBW
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C10H12N4OS/c1-7(15)13-9-4-2-8(3-5-9)6-12-14-10(11)16/h2-6H,1H3,(H,13,15)(H3,11,14,16)/b12-6+ | StdInChI = 1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4)
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = SRVJKTDHMYAMHA-WUXMJOGZSA-N | StdInChIKey = DUYAAUVXQSMXQP-UHFFFAOYSA-N
| CASNo_Ref = {{cascite|correct|CAS}}
| synonyms = <small>''N''-phenyl]acetamide</small>
| CASNo=507-09-5
⚫ | PubChem=10484
| ChEBI_Ref = {{ebicite|correct|EBI}}
| ChEBI = 46800
| SMILES = O=C(S)C
}}
|Section2={{Chembox Properties
| Formula=C<sub>2</sub>H<sub>4</sub>OS
| MolarMass=76.11756
| Appearance=
| Density=1.08 g/mL
| MeltingPtC=-58
| BoilingPtC=93
| Solubility=
}}
|Section3={{Chembox Hazards
| ExternalMSDS =
| FlashPt=
| Autoignition=
}}
}} }}

Revision as of 13:01, 10 January 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 465942500 of page Thioacetic_acid with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
IUPAC name Ethanethioic S-acid
Other names Thioacetic S-acid
Thiolacetic acid
Identifiers
CAS Number
3D model (JSmol)
ChEBI
ChemSpider
KEGG
PubChem CID
UNII
InChI
  • InChI=1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4)Key: DUYAAUVXQSMXQP-UHFFFAOYSA-N
  • InChI=1/C2H4OS/c1-2(3)4/h1H3,(H,3,4)Key: DUYAAUVXQSMXQP-UHFFFAOYAO
SMILES
  • O=C(S)C
Properties
Chemical formula C2H4OS
Molar mass 76.11756
Density 1.08 g/mL
Melting point −58 °C (−72 °F; 215 K)
Boiling point 93 °C (199 °F; 366 K)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Chemical compound