Triazamate

HCID 86306

基本情報

CAS: 110895-43-7
標準SMILES: CCOC(=O)CSc1nc(C(C)(C)C)nn1C(=O)N(C)C
InChIKey: NKNFWVNSBIXGLL-UHFFFAOYSA-N
分子式: C13H22N4O3S
平均分子量: 314.41 g/mol
単同位体質量: 314.14126175

概要

Triazamate is a triazole insecticide that is 1H-1,2,4-triazole which is substituted at positions 1, 3, and 5 by N,N-dimethylaminocarbonyl, tert-butyl, and (2-ethoxy-2-oxoethyl)sulfanediyl groups, respectively. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor. It is an ethyl ester, an aryl sulfide and a triazole insecticide. It derives from a hydride of a 1H-1,2,4-triazole.

名称と識別子

優先名称: Triazamate
IUPAC: ethyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
英語名: 1-(N,N-dimethylcarbamoyl)-3-tert-butyl-5-carbethoxymethylthio-1H-1,2,4-triazole
分子量: 0

名称と別名

Triazamate112143-82-5TriazuronAPHISTARB4914SW93TRH-7988WL-145158DTXSID5034307CHEBI:38576ethyl {[3-tert-butyl-1-(dimethylcarbamoyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetateAcetic acid, ((1-((dimethylamino)carbonyl)-3-(1,1-dimethylethyl)-1H-1,2,4-triazol-5-yl)thio)-, ethyl esterethyl ((3-tert-butyl-1-(dimethylcarbamoyl)-1H-1,2,4-triazol-5-yl)sulfanyl)acetate

名称をさらに表示

RefChem:899055DTXCID3014307411-650-3Triazamat1-(N,N-dimethylcarbamoyl)-3-tert-butyl-5-carbethoxymethylthio-1H-1,2,4-triazoleethyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]acetate110895-43-7Triazamate [ISO:BSI]

データベース識別子

CAS: 110895-43-7、112143-82-5
PubChem CID: 86306
DTXSID: DTXSID5034307
ChEBI: CHEBI:38576
UNII: B4914SW93T
EC Number: 411-650-3、601-165-7

物性

構造計算による物性

XLogP: 2.7
極性表面積: 103 Å²
水素結合供与体数: 0
水素結合受容体数: 6
回転可能結合数: 6
重原子数: 21
形式電荷: 0
複雑度: 384

実験および物理化学的性質

Pesticides · 4 件

Insecticides

Active substance -> EU Pesticides database: Not approved

Insecticides

Environmental transformation -> Pesticides (parent, predecessor)

LogP2.69

安全と法規制

安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 6 件

Danger

H301: Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P270, P271, P273, P301+P316, P304+P340, P316, P321, P330, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P304+P340, P305+P351+P338, P316, P320, P321, P330, P337+P317, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information · 3 件

Regulation (EC) No 1107/2009 (amended)

2005/487

REACH registered substance: 1-(N,N-dimethylcarbamoyl)-3-tert-butyl-5-carbethoxymethylthio-1H-1,2,4-triazole (EC: 411-650-3)

Hazard Classes and Categories · 3 件

Acute Tox. 3 (100%)

Acute toxicity - category 3

Acute Tox. 3 *

安全データ

risk_code: 23/25-50/53
hazard_code: T,N
safety_code: 37-38-45-60-61

化学と産業

用途と製造

Use Classification · 2 件

Environmental transformation -> Pesticides (parent, predecessor)

Insecticides

サプライヤー15 社

梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]

上海毕楷科技有限公司18516304666 · [email protected]

重庆福腾医药有限公司18696571988 · [email protected]

Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]

天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]

化合物ノート

読み込み中…

部分構造検索類似構造を探す

基本情報

CAS: 110895-43-7
標準SMILES: CCOC(=O)CSc1nc(C(C)(C)C)nn1C(=O)N(C)C
InChIKey: NKNFWVNSBIXGLL-UHFFFAOYSA-N
分子式: C13H22N4O3S
平均分子量: 314.41 g/mol
単同位体質量: 314.14126175

概要