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Revision as of 13:02, 10 January 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 457173443 of page Thiocarlide for the Chem/Drugbox validation project (updated: 'CAS_number').← Previous edit Revision as of 13:03, 10 January 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 456735397 of page Thiocyanate for the Chem/Drugbox validation project (updated: 'ChEMBL').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
| Verifiedfields = changed | Verifiedfields = changed
⚫ | verifiedrevid = 412700780
| Watchedfields = changed
|ImageFile=Thiocyanate-3D-vdW.png
⚫ | verifiedrevid = 418298664
|ImageSize=
| IUPAC_name = 1,3-bisthiourea
|IUPACName=thiocyanate
| image = Tiocarlide.png
|OtherNames= sulphocyanate, thiocyanide

|Section1={{Chembox Identifiers
<!--Clinical data-->
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| tradename =
⚫ | ChemSpiderID = 8961
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
⚫ | ChEMBL_Ref = {{ebicite|changed|EBI}}
| pregnancy_US = <!-- A / B / C / D / X -->
⚫ | ChEMBL = <!-- blanked - oldvalue: 84336 -->
| pregnancy_category =
| InChI = 1/CHNS/c2-1-3/h3H/p-1
| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 -->
| InChIKey = ZMZDMBWJUHKJPS-REWHXWOFAX
| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII -->
| legal_UK = <!-- GSL / P / POM / CD / Class A, B, C -->
| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V -->
| legal_status =
| routes_of_administration =

<!--Pharmacokinetic data-->
| bioavailability =
| protein_bound =
| metabolism =
| elimination_half-life =
| excretion =

<!--Identifiers-->
⚫ | CAS_number_Ref = {{cascite|correct|??}}
⚫ | CAS_number = <!-- blanked - oldvalue: 910-86-1 -->
| ATC_prefix = J04
| ATC_suffix = AD02
⚫ | PubChem = 3001386
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| DrugBank =
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | ChemSpiderID = 2272774
| UNII_Ref = {{fdacite|changed|FDA}}
| UNII = 43M23X81Y2
⚫ | ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 214920

<!--Chemical data-->
| C=23 | H=32 | N=2 | O=2 | S=1
| molecular_weight = 400.578 g/mol
| smiles = S=C(Nc1ccc(OCCC(C)C)cc1)Nc2ccc(OCCC(C)C)cc2
| InChI = 1/C23H32N2O2S/c1-17(2)13-15-26-21-9-5-19(6-10-21)24-23(28)25-20-7-11-22(12-8-20)27-16-14-18(3)4/h5-12,17-18H,13-16H2,1-4H3,(H2,24,25,28)
| InChIKey = BWBONKHPVHMQHE-UHFFFAOYAL
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/CHNS/c2-1-3/h3H/p-1
| StdInChI = 1S/C23H32N2O2S/c1-17(2)13-15-26-21-9-5-19(6-10-21)24-23(28)25-20-7-11-22(12-8-20)27-16-14-18(3)4/h5-12,17-18H,13-16H2,1-4H3,(H2,24,25,28)
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = BWBONKHPVHMQHE-UHFFFAOYSA-N | StdInChIKey = ZMZDMBWJUHKJPS-UHFFFAOYSA-M
⚫ | CASNo_Ref = {{cascite|correct|??}}
| CASNo=
⚫ | PubChem=9322
⚫ | ChEBI_Ref = {{ebicite|changed|EBI}}
| ChEBI = 18022
| SMILES = C#N
}} }}
|Section2={{Chembox Properties
| Formula=CNS-
| MolarMass=58.0824
| Appearance=
| Density=
| MeltingPt=
| BoilingPt=
| Solubility=
}}
|Section3={{Chembox Hazards
| MainHazards=
| FlashPt=
| Autoignition=
}}
}}

Revision as of 13:03, 10 January 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 456735397 of page Thiocyanate with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
IUPAC name thiocyanate
Other names sulphocyanate, thiocyanide
Identifiers
3D model (JSmol)
ChEBI
ChemSpider
PubChem CID
InChI
  • InChI=1S/CHNS/c2-1-3/h3H/p-1Key: ZMZDMBWJUHKJPS-UHFFFAOYSA-M
  • InChI=1/CHNS/c2-1-3/h3H/p-1Key: ZMZDMBWJUHKJPS-REWHXWOFAX
SMILES
  • C#N
Properties
Chemical formula CNS-
Molar mass 58.0824
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒N verify (what is  ?) Infobox references
Chemical compound