基本情報
- 標準SMILES
Br.CCSC(=N)N- InChIKey
SWXXKWPYNMZFTE-UHFFFAOYSA-N- 分子式
- C3H9BrN2S
- 平均分子量
- 185.09 g/mol
名称と識別子
- 優先名称
- S-Ethylisothiuronium bromide
- IUPAC
- ethyl carbamimidothioate;hydrobromide
名称と別名
S-Ethylisothiourea hydrobromide2-Ethyl-2-thiopseudourea hydrobromideEthironEthiron bromideS-Ethylisothiouronium hydrobromideS-Ethylthiuronium bromideIsothuron hydrobromideS-Ethylisothiuronium bromide(ethylsulfanyl)methanimidamide hydrobromideWR 539Bromide S-ethylisothiuroniumIsothurone hydrobromide
名称をさらに表示
USAF EL-182-Ethylisothiourea hydrobomideCarbamimidothioic acid, ethyl ester, monohydrobromideT9389OA11MNSC 27208Pseudourea, 2-ethyl-2-thio-, monohydrobromideNSC-27208WR-539
データベース識別子
- CAS
1071-37-0- PubChem CID
- 200213
- ChEMBL
CHEMBL1255945- UNII
- T9389OA11M
- EC Number
- 689-042-4
物性
構造計算による物性
- 極性表面積
- 75.2 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 2
- 回転可能結合数
- 2
- 重原子数
- 7
- 形式電荷
- 0
- 複雑度
- 52.8
安全と法規制
GHS分類
GHS Classification
Danger
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 3 (50%)
関連反応
13 件
関連ノート
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