基本情報
- CAS
31895-21-3- 標準SMILES
CN(C)C1CSSSC1- InChIKey
DNVLJEWNNDHELH-UHFFFAOYSA-N- 分子式
- C5H11NS3
- 平均分子量
- 181.4 g/mol
- 単同位体質量
- 181.00536288
概要
Thiocyclam is an organosulfur heterocyclic compound that is 1,2,3-trithiane in which one of the hydrogens at position 5 has been replaced by a dimethylamino group. A nicotinic acetylcholine receptor agonist, it was used (particularly as its hydrogen oxalate salt, known as thyocyclam oxalate) as a broad-spectrum insecticide, but it is also toxic to bees, fish and other aquatic organisms. It is not approved for use within the European Union. It has a role as an agrochemical and a nicotinic acetylcholine receptor agonist. It is an organosulfur heterocyclic compound and a nereistoxin analogue insecticide. It is a conjugate base of a thiocyclam(1+). It derives from a hydride of a 1,2,3-trithiane.
名称と識別子
- 優先名称
- Thiocyclam
- IUPAC
- N,N-dimethyltrithian-5-amine
- 現地名
- 5-ジメチルアミノ-1,2,3-トリチアン
- 英語名
- Thiocyclam
- 分子式
- C5H11NS3
- 分子量
- 181.34
名称と別名
Thiocyclam31895-21-3N,N-dimethyl-1,2,3-trithian-5-amineThiocyclame5-(Dimethylamino)-1,2,3-trithianeN,N-Dimethyl-1,2,3-trithian-5-ylamine9YQ0903F7VCHEBI:4947DTXSID9047209RefChem:189496DTXCID7027209Sultamine
名称をさらに表示
チオシクラムN,N-ジメチル-1,2,3-トリチアン-5-アミンスルタミン5-ジメチルアミノ-1,2,3-トリチアン5-ジメチルアミノ-1, 2, 3-トリチアン及びその塩類5-ジメチルアミノ-1,2,3-トリチアン （チオシクラム）5-ジメチルアミノ-1,2,3-トリチアン (別名 チオシクラム)C11473EvisekehiocyclamThiocyclam 50% SPThiocyclam in methanol
N,N-dimethyltrithian-5-amine1,2,3-Trithian-5-amine, N,N-dimethyl-Thiocyclam [BSI:ISO]Thiocyclame [ISO-French]BRN 4738857EbisectUNII-9YQ0903F7VTHIOCYCLAM [ISO]
データベース識別子
- CAS
31895-21-3- PubChem CID
- 35970
- DTXSID
物性
構造計算による物性
- XLogP
- 1.2
- 極性表面積
- 79.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 1
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 80.3
実験および物理化学的性質
Pesticides
Insecticides
Active substance -> EU Pesticides database: Not approved
Insecticides
物理化学的性質
- 沸点
- 280.7 · 280.7±50.0 °C(Predicted)
- 比重(密度)
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- 蒸気圧
- 3 x · 3 x 10-2 Pa (25 °C, est.)
- 酸解離定数(Pka)
- 7 · 7.0 (base)
- InChI
- InChI=1S/C5H11NS3/c1-6(2)5-3-7-9-8-4-5/h5H,3-4H2,1-2H3
- InChIKey
- DNVLJEWNNDHELH-UHFFFAOYSA-N
- SMILES
- S1CC(N(C)C)CSS1
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
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P264, P270, P271, P301+P316, P304+P340, P308+P316, P317, P319, P321, P330, P405, and P501 (click each P-code to see the statement)
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P264, P270, P271, P301+P316, P304+P340, P308+P316, P317, P319, P321, P330, P332+P317, P405, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information2002/2076
Hazard Classes and Categories
Acute toxicity (Oral) - Category 3
Acute toxicity (Oral) - Category 3
安全データ
- PRTR法
- 第1種指定化学物質
化学と産業
用途と製造
Use ClassificationInsecticides
応用分野
使用Thiocyclam is a pro-insecticide of the natural toxin nereistoxin and is rapidly converted into the latter in biological media. It has limited systemic activity with stomach and contact action. It causes paralysis by ganglionic blocking action on the insect central nervous system. It is used as the hydrogen oxalate salt. This is converted to the active nereistoxin, and its oxide in soils and plants and these are ultimately broken down into smaller molecules.
上流・下流製品情報
上流原料
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