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Revision as of 20:58, 9 November 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,084 edits Script assisted update of identifiers for the Chem/Drugbox validation project (updated: 'ChEMBL', 'StdInChI', 'StdInChIKey').← Previous edit Revision as of 15:15, 10 November 2011 edit undoCheMoBot (talk | contribs)Bots141,565 edits Updating {{chembox}} (no changed fields - added verified revid - updated 'ChemSpiderID_Ref', 'DrugBank_Ref', 'UNII_Ref', 'ChEMBL_Ref', 'ChEBI_Ref', 'KEGG_Ref', 'StdInChI_Ref', 'StdInChIKey_Ref', 'CASNo_Ref') per [[WP:CHEMVALID|Chem/Drugbox validat...Next edit →
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{{Chembox {{Chembox
| verifiedrevid = 459858663
| ImageFile = Benthiocarb.svg | ImageFile = Benthiocarb.svg
| ImageSize = 200px | ImageSize = 200px
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| OtherNames = Thiobencarb, Saturn, Bolero | OtherNames = Thiobencarb, Saturn, Bolero
| Section1 = {{Chembox Identifiers | Section1 = {{Chembox Identifiers
| CASNo_Ref = {{cascite|correct|CAS}}
| CASNo = 28249-77-6
| ChEMBL = 388559 | CASNo = 28249-77-6
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 388559
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3 | StdInChI = 1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = QHTQREMOGMZHJV-UHFFFAOYSA-N | StdInChIKey = QHTQREMOGMZHJV-UHFFFAOYSA-N
| PubChem = 34192 | PubChem = 34192
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 31512 | ChemSpiderID = 31512
| KEGG_Ref = {{keggcite|correct|kegg}}
| KEGG = C14428 | KEGG = C14428
| SMILES = Clc1ccc(cc1)CSC(=O)N(CC)CC | SMILES = Clc1ccc(cc1)CSC(=O)N(CC)CC

Revision as of 15:15, 10 November 2011

Benthiocarb
Names
IUPAC name S-(4-Chlorobenzyl) diethylcarbamothioate
Other names Thiobencarb, Saturn, Bolero
Identifiers
CAS Number
3D model (JSmol)
ChEMBL
ChemSpider
ECHA InfoCard 100.044.461 Edit this at Wikidata
KEGG
PubChem CID
CompTox Dashboard (EPA)
InChI
  • InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3Key: QHTQREMOGMZHJV-UHFFFAOYSA-N
  • InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3
SMILES
  • Clc1ccc(cc1)CSC(=O)N(CC)CC
Properties
Chemical formula C12H16ClNOS
Molar mass 257.780 g mol
Appearance Pale yellow to brownish-yellow liquid
Density 1.145-1.180 g cm at 20 °C
Melting point 3.3 °C
Boiling point 126-129 °C at 0.008 Torr
Solubility in water 28.0 mg/L at 25 °C
Solubility Readily soluble in: acetone, ethanol, xylene, methanol, benzene, n-hexane, and acetonitrile
log P 3.42 (octanol/water)
Hazards
Occupational safety and health (OHS/OSH):
Main hazards Moderately Hazardous
Flash point 165.8 °C
Lethal dose or concentration (LD, LC):
LD50 (median dose) Rat, oral 1300 mg/kg

Mouse, oral 560 mg/kg

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

Benthiocarb is a thiocarbamate cholinesterase inhibitor used as a herbicide.

See also

References

  1. Tomlin, C.D.S. (ed.). The Pesticide Manual - World Compendium, 11 th ed., British Crop Protection Council, Surrey, England 1997, p. 1192
  2. Worthing, C.R. and S.B. Walker (eds.). The Pesticide Manual - A World Compendium. 8th ed. Thornton Heath, UK: The British Crop Protection Council, 1987., p. 796

External links

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