| Revision as of 20:58, 9 November 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Script assisted update of identifiers for the Chem/Drugbox validation project (updated: 'ChEMBL', 'StdInChI', 'StdInChIKey').← Previous edit |
Latest revision as of 17:28, 7 September 2024 edit undoJWBE (talk | contribs)Extended confirmed users10,126 edits removed Category:Chloroarenes; added Category:4-Chlorophenyl compounds using HotCat |
| (27 intermediate revisions by 18 users not shown) |
| Line 1: |
Line 1: |
|
{{Chembox |
|
{{Chembox |
|
|
| Watchedfields = changed |
|
|
| verifiedrevid = 459858663 |
|
| ImageFile = Benthiocarb.svg |
|
| ImageFile = Benthiocarb.svg |
|
| ImageSize = 200px |
|
| ImageSize = |
|
| IUPACName = ''S''-(4-Chlorobenzyl) diethylcarbamothioate |
|
| PIN = ''S''- diethylcarbamothioate |
|
| 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 |
|
|
| UNII_Ref = {{fdacite|correct|FDA}} |
|
|
| UNII = 90LN6Y7I7H |
|
|
| 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 |
|
| InChI = InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3 |
|
| 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 |
|
}} |
|
}} |
|
| Section2 = {{Chembox Properties |
|
|Section2={{Chembox Properties |
|
|
| C=12 | H=16 | Cl=1 | N=1 | O=1 | S=1 |
|
| Formula = C<sub>12</sub>H<sub>16</sub>ClNOS |
|
|
⚫ |
| Appearance = Pale yellow to brownish-yellow liquid |
|
| MolarMass = 257.780 g mol<sup>-1</sup> |
|
|
⚫ |
| Density = 1.145-1.180 g cm<sup>−3</sup> at 20 °C |
| ⚫ |
| Appearance = Pale yellow to brownish-yellow liquid |
|
|
|
| MeltingPtC = 3.3 |
| ⚫ |
| Density = 1.145-1.180 g cm<sup>-3</sup> at 20 °C |
|
|
|
| MeltingPt_notes = |
|
| MeltingPt = 3.3 °C |
|
|
| BoilingPt = 126-129 °C at 0.008 Torr |
|
| BoilingPtC = 126 to 129 |
|
| Solubility = 28.0 mg/L at 25 °C |
|
| BoilingPt_notes = at 0.008 Torr |
|
|
| Solubility = 28.0 mg/L at 25 °C |
|
| SolubleOther = Readily soluble in: ], ], ], ], ], ], and ] |
|
| SolubleOther = Readily soluble in: ], ], ], ], ], ], and ] |
|
| LogP=3.42 (octanol/water)<ref>Tomlin, C.D.S. (ed.). The Pesticide Manual - World Compendium, 11 th ed., British Crop Protection Council, Surrey, England 1997, p. 1192</ref> |
|
| LogP =3.42 (octanol/water)<ref>{{cite book | editor = Tomlin, C.D.S. | title = The Pesticide Manual - World Compendium | edition = 11th | publisher = British Crop Protection Council | location = Surrey, England | date = 1997 | page = 1192 }}</ref> |
| ⚫ |
}} |
|
| ⚫ |
| Section3 = {{Chembox Hazards |
|
| ⚫ |
| MainHazards = Moderately Hazardous |
|
| ⚫ |
| LD50 = Rat, oral 1300 mg/kg |
|
| ⚫ |
Mouse, oral 560 mg/kg <ref>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</ref> |
|
| ⚫ |
| FlashPt = 165.8 °C |
|
|
| Autoignition = |
|
|
}} |
|
}} |
|
⚫ |
|Section3={{Chembox Hazards |
|
|
| NFPA-H = 4 |
|
|
| NFPA-F = 1 |
|
|
| NFPA-R = 0 |
|
|
| NFPA-S = |
|
⚫ |
| MainHazards = |
|
⚫ |
| LD50 = Rat, oral 1300 mg/kg |
|
⚫ |
Mouse, oral 560 mg/kg <ref>{{cite book | editor = Worthing, C.R. and S.B. Walker | title = The Pesticide Manual - A World Compendium | edition = 8th | location = Thornton Heath, UK | publisher = The British Crop Protection Council | date = 1987 | page = 796}} </ref> |
|
⚫ |
| FlashPtC = 165.8 |
|
|
| AutoignitionPtC = |
|
⚫ |
}} |
|
}} |
|
}} |
|
|
|
|
|
|
'''Benthiocarb''' is a thiocarbamate ] inhibitor used as an ]. Benthiocarb is almost always used to control the weeds around rice crops, but its effectiveness is not specific to just rice crops.<ref>{{Cite web |last=United States Environmental Protection Agency |date=September 1997 |title=R.E.D. FACTS Thiobencarb |url=https://www3.epa.gov/pesticides/chem_search/reg_actions/reregistration/fs_PC-108401_1-Sep-97.pdf |access-date=September 26, 2022}}</ref> The benthiocarb molecule is an organic molecule containing a ] bonded to a ] atom. |
|
'''Benthiocarb''' is a thiocarbamate cholinesterase inhibitor used as a ]. |
|
|
|
|
|
|
] |
|
|
|
|
|
==See also== |
|
==See also== |
| Line 48: |
Line 65: |
|
] |
|
] |
|
] |
|
] |
|
] |
|
] |
|
|
|
|
|
|
|
|
{{med-toxic-stub}} |