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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 {{chembox}} taken from revid 465715899 of page Thiirane for the Chem/Drugbox validation project (updated: 'KEGG').← Previous edit		Revision as of 13:00, 10 January 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 455772276 of page Thioacetamide for the Chem/Drugbox validation project (updated: 'KEGG').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
	\| Verifiedfields = changed		\| Verifiedfields = changed
			\| verifiedrevid = 418298272
	\| Watchedfields = changed
			\| Name = Thioacetamide
	\| verifiedrevid = 433987901
			\| ImageFile = TA.png
	\| ImageFile2 = Ethylene-sulfide-3D-balls.png
			\| ImageSize = 140px
	\| ImageFile2_Ref = {{chemboximage\|correct\|??}}
			\| ImageName = Structural formula
	\| ImageSize2 = 121
			\| ImageFile1 = Thioacetamide-3D-balls.png
	\| ImageName2 = Ball and model of thiirane
			\| ImageSize1 = 170px
	\| ImageFileL1 = Ethylene-sulfide-2D-skeletal.png
			\| ImageName1 = Ball-and-stick model
	\| ImageFileL1_Ref = {{chemboximage\|correct\|??}}
			\| PIN = Ethanethioamide
	\| ImageSizeL1 = 121
			\| IUPACName = Thioacetamide
	\| ImageNameL1 = Skeletal formula of thiirane
			\| OtherNames = acetothioamide, TAA, thioacetimidic acid, TA
	\| ImageFileR1 = Ethylene-sulfide-3D-vdW.png
	\| ImageFileR1_Ref = {{chemboximage\|correct\|??}}
	\| ImageSizeR1 = 121
	\| ImageNameR1 = Spacefill model of thiirane
	\| SystematicName = Thiirane<ref name = "thiirane (CHEBI:30977)" >{{Cite web\|url = http://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:30977\|title = thiirane (CHEBI:30977)\|work = Chemical Entities of Biological Interest (ChEBI)\|location = UK\|publisher = European Bioinformatics Institute}}</ref>
	\| OtherNames = 2,3-Dihydrothiirene<ref name = "thiirane (CHEBI:30977)" /><br />
	Ethylene sulfide<ref name = "thiirane (CHEBI:30977)" /><br />
	Thiacyclopropane<ref name = "thiirane (CHEBI:30977)" />
	\| Section1 = {{Chembox Identifiers		\| Section1 = {{Chembox Identifiers
			\| UNII_Ref = {{fdacite\|changed\|FDA}}
	\| CASNo = 420-12-2
			\| UNII = 075T165X8M
	\| CASNo_Ref = {{cascite\|correct\|CAS}}
			\| ChEBI_Ref = {{ebicite\|changed\|EBI}}
	\| PubChem = 9865
			\| ChEBI = 32497
	\| PubChem_Ref = {{Pubchemcite\|correct\|pubchem}}
			\| SMILES = S=C(N)C
	\| ChemSpiderID = 9481
	\| ChemSpiderID_Ref = {{chemspidercite\|~~changed~~\|chemspider}}		\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
			\| ChemSpiderID = 2006126
	\| EINECS = 206-993-9
	\| ~~UNNumber~~ = ~~1992~~		\| PubChem = 2723949
			\| InChI = 1/C2H5NS/c1-2(3)4/h1H3,(H2,3,4)
	\| KEGG = <!-- blanked - oldvalue: C19419 -->
			\| InChIKey = YUKQRDCYNOVPGJ-UHFFFAOYAD
	\| KEGG_Ref = {{keggcite\|correct\|kegg}}
			\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
	\| MeSHName = ethylene+sulfide
			\| ChEMBL = 38737
	\| ChEBI_Ref = {{ebicite\|changed\|EBI}}
			\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| ChEBI = 30977
			\| StdInChI = 1S/C2H5NS/c1-2(3)4/h1H3,(H2,3,4)
	\| RTECS = KX3500000
			\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| Beilstein = 102379
			\| StdInChIKey = YUKQRDCYNOVPGJ-UHFFFAOYSA-N
	\| Gmelin = 1278
	\| ~~SMILES~~ = ~~C1CS1~~		\| CASNo = 62-55-5
			\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| StdInChI = 1S/C2H4S/c1-2-3-1/h1-2H2
			\| RTECS = AC8925000
	\| StdInChI_Ref = {{stdinchicite\|changed\|chemspider}}
			\| KEGG_Ref = {{keggcite\|changed\|kegg}}
	\| StdInChIKey = VOVUARRWDCVURC-UHFFFAOYSA-N
			\| KEGG = <!-- blanked - oldvalue: C19302 -->
	\| StdInChIKey_Ref = {{stdinchicite\|changed\|chemspider}}
	}}		}}
	\| Section2 = {{Chembox Properties		\| Section2 = {{Chembox Properties
			\| Formula = C<sub>2</sub>H<sub>5</sub>NS
	\| C = 2
	\| H = 4		\| MolarMass = 75.13 g/mol
			\| Appearance = colourless crystals, slight ] odor
	\| S = 1
			\| Density = 1.269 g/cm³<!--from X-ray structure -->
	\| ExactMass = 60.003370818 g mol<sup>−1</sup>
	\| ~~Appearance~~ = ~~Pale~~, ~~yellow~~ ~~liquid~~		\| Solubility = good, with hydrolysis
			\| MeltingPt = 115 °C
	\| Density = 1.01 g cm<sup>−3</sup>
	\| ~~MeltingPtC~~ = ~~-109~~		\| BoilingPt = decomp.
			}}
	\| BoilingPtK = 329
			\| Section3 = {{Chembox Structure
	\| VaporPressure = 28.6 kPa (at 20 °C)
			\| CrystalStruct = ]
	}}
			\| Dipole =
	\| Section4 = {{Chembox Thermochemistry
			}}
	\| DeltaHf = 51-53 kJ mol<sup>-1</sup>
			\| Section7 = {{Chembox Hazards
	\| DeltaHc = -2.0126 MJ mol<sup>-1</sup>
			\| ExternalMSDS =
	}}
			\| MainHazards = stench
	\| Section5 = {{Chembox Hazards
			\| FlashPt = ?°C
	\| GHSPictograms = {{GHS flame}} {{GHS corrosion}} {{GHS skull and crossbones}}
			\| RPhrases = R22 R36 R37 R45
	\| GHSSignalWord = '''DANGER'''
			\| SPhrases = S45 S53
	\| HPhrases = {{H-phrases\|225\|301\|318\|331}}
			}}
	\| PPhrases = {{P-phrases\|210\|261\|280\|301+310\|305+351+338\|311}}
			\| Section8 = {{Chembox Related
	\| EUClass = {{Hazchem F}} {{Hazchem T}}
			\| OtherCpds = ], dithioacetic acid
	\| RPhrases = {{R11}}, {{R23/25}}, {{R41}}
			}}
	\| SPhrases = {{S16}}, {{S36/37/39}}, {{S45}}
	\| NFPA-F = 4
	\| NFPA-H = 3
	\| NFPA-R = 2
	\| FlashPt = 10 °C
	}}
	\| Section6 = {{Chembox Related
	\| Function = ]
	\| OtherFunctn = ]<br />]<br />]
	}}
	}}		}}

Revision as of 13:00, 10 January 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 455772276 of page Thioacetamide with values updated to verified values.

Thioacetamide
Names


IUPAC name Thioacetamide
Preferred IUPAC name Ethanethioamide
Other names acetothioamide, TAA, thioacetimidic acid, TA
Identifiers
CAS Number	62-55-5
3D model (JSmol)	Interactive image
ChEBI	CHEBI:32497
ChEMBL	ChEMBL38737
ChemSpider	2006126
PubChem CID	2723949
RTECS number	AC8925000
UNII	075T165X8M
InChI InChI=1S/C2H5NS/c1-2(3)4/h1H3,(H2,3,4)Key: YUKQRDCYNOVPGJ-UHFFFAOYSA-N InChI=1/C2H5NS/c1-2(3)4/h1H3,(H2,3,4)Key: YUKQRDCYNOVPGJ-UHFFFAOYAD
SMILES S=C(N)C
Properties
Chemical formula	C₂H₅NS
Molar mass	75.13 g/mol
Appearance	colourless crystals, slight mercaptan odor
Density	1.269 g/cm³
Melting point	115 °C
Boiling point	decomp.
Solubility in water	good, with hydrolysis
Structure
Crystal structure	monoclinic
Hazards
Occupational safety and health (OHS/OSH):
Main hazards	stench
Flash point	?°C
Related compounds
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). N verify (what is ?) Infobox references

Tracking categories (test):

SizeSet

Chemical compound