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Revision as of 16:25, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 457127254 of page 1,3-Propanedithiol for the Chem/Drugbox validation project (updated: 'ChEMBL').← Previous edit Revision as of 16:25, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 399186163 of page 1,3-Thiazepine for the Chem/Drugbox validation project (updated: 'CASNo').Next edit →
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{{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) 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.}}
{{chembox {{chembox
| verifiedrevid = 399184212
| Verifiedfields = changed
|ImageFile=1,3-thiazepine.png
| Watchedfields = changed
|ImageSize=100px
| verifiedrevid = 456364861
|IUPACName=1,3-thiazepine
| Name = 1,3-Propanedithiol
|OtherNames=
| ImageFile = H2pdt.png
|Section1={{Chembox Identifiers
| ImageSize = 100px
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ImageName = 1,3-Propanedithiol
| ChemSpiderID = 10629932
| IUPACName = Propane-1,3-dithiol
| InChI = 1/C5H5NS/c1-2-4-7-5-6-3-1/h1-5H
| OtherNames = 1,3-dimercaptopropane
| SMILES1 = C\1=C\C=C/N=C\S/1
| Section1 = {{Chembox Identifiers
| InChIKey = SIMIXFVGSWZJJV-UHFFFAOYAG
| SMILES = SCCCS
| StdInChI = 1S/C5H5NS/c1-2-4-7-5-6-3-1/h1-5H
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| StdInChIKey = SIMIXFVGSWZJJV-UHFFFAOYSA-N
| ChEBI_Ref = {{ebicite|correct|EBI}}
| CASNo = <!-- blanked - oldvalue: 291-91-8 -->
| ChEBI = 44864
| PubChem=12444277
| ChemSpiderID = 13848090
| SMILES=C1=CN=CSC=C1
| ChEMBL_Ref = {{ebicite|changed|EBI}}
| ChEMBL = <!-- blanked - oldvalue: 1235209 -->
| InChI = 1/C3H8S2/c4-2-1-3-5/h4-5H,1-3H2
| InChIKey = ZJLMKPKYJBQJNH-UHFFFAOYAS
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C3H8S2/c4-2-1-3-5/h4-5H,1-3H2
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = ZJLMKPKYJBQJNH-UHFFFAOYSA-N
| CASNo_Ref = {{cascite|correct|CAS}}
| CASNo = 109-80-8
| RTECS = TZ2585500
}} }}
| Section2 = {{Chembox Properties |Section2={{Chembox Properties
| Formula=C<sub>5</sub>H<sub>5</sub>NS
| C=3|H=8|S=2
| MolarMass=111.1649
| Appearance = Colorless liquid | Appearance=
| Density = 1.078 g/cm³ | Density=
| Solubility = slight
| MeltingPt=
| Solvent = solvents
| BoilingPt=
| SolubleOther = all organic solvents
| Solubility=
| MeltingPtC = -79
| BoilingPtC = 169
| pKb =
| RefractIndex = 1.539
}} }}
| Section3 = {{Chembox Structure |Section3={{Chembox Hazards
| MainHazards=
| Dipole = 0 ]
| FlashPt=
}}
| Autoignition=
| Section7 = {{Chembox Hazards
| MainHazards = stench
| FlashPt = 138 °F
| RPhrases = {{R36/37/38}}
| SPhrases = {{S26}}
}}
| Section8 = {{Chembox Related
| OtherCpds = ]<br />]<br />]
}} }}
}} }}

Revision as of 16:25, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 399186163 of page 1,3-Thiazepine with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
IUPAC name 1,3-thiazepine
Identifiers
3D model (JSmol)
ChemSpider
PubChem CID
InChI
  • InChI=1S/C5H5NS/c1-2-4-7-5-6-3-1/h1-5HKey: SIMIXFVGSWZJJV-UHFFFAOYSA-N
  • InChI=1/C5H5NS/c1-2-4-7-5-6-3-1/h1-5HKey: SIMIXFVGSWZJJV-UHFFFAOYAG
SMILES
  • C1=CN=CSC=C1
  • C\1=C\C=C/N=C\S/1
Properties
Chemical formula C5H5NS
Molar mass 111.1649
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkverify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound