2,3-ジヒドロ-5-(メチルスルホニル)-(1H)-インドール

5-(Methanesulfonyl)-2,3-dihydro-1H-indole

HCID 2736136CAS 387350-92-7

部分構造検索類似構造を探す

基本情報

標準SMILES: CS(=O)(=O)c1ccc2c(c1)CCN2
InChIKey: OFYOHQMIBTVTKY-UHFFFAOYSA-N
分子式: C9H11NO2S
平均分子量: 197.26 g/mol
単同位体質量: 197.05104977

名称と識別子

優先名称: 5-(Methanesulfonyl)-2,3-dihydro-1H-indole
IUPAC: 5-methylsulfonyl-2,3-dihydro-1H-indole
現地名: 2,3-ジヒドロ-5-(メチルスルホニル)-(1H)-インドール
英語名: 1-(Cloromethyl)-4,5-dihydro-1H-imidazole hydrochloride
分子式: C9H11NO2S
分子量: 197.25

名称と別名

387350-92-7DTXSID103711525-(Methanesulfonyl)-2,3-dihydro-1H-indoleRefChem:300534DTXCID303221865-(methylsulfonyl)indoline5-methanesulfonyl-2,3-dihydro-1H-indole5-(Methylsulfonyl)-indoline5-methylsulfonyl-2,3-dihydro-1H-indole1-(Cloromethyl)-4,5-dihydro-1H-imidazole hydrochlorideMFCD013192032,3-dihydro-5-(methylsulphonyl)-(1h)-indole

名称をさらに表示

2,3-ジヒドロ-5-(メチルスルホニル)-(1H)-インドール5-(メチルスルホニル)インドリン5-(Methylsulphonyl)indoline 95+%1-(CHLOROMETHYL)-4,5-DIHYDRO-1H-IMIDAZOLE HYDROCHLORIDE2,3-Dihydro-5-(methylsulphonyl)-1H-indole, 2,3-Dihydro-1H-indol-5-yl methyl sulphone

5-methanesulfonyl-indoline1H-Indole, 2,3-dihydro-5-(methylsulfonyl)-5-methylsulfonylindoline5-methanesulfonylindolinePeakdale1_0009735-(Methylsulphonyl)indoline5-(methyl-sulfonyl)indolineSCHEMBL514685

データベース識別子

CAS: 387350-92-7
PubChem CID: 2736136
DTXSID: DTXSID10371152
EC Number: 674-426-6

物性

構造計算による物性

XLogP: 1.5
極性表面積: 54.6 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 280

物理化学的性質

融点: 129 · 129-131°C
沸点: 418.8 · 418.8±45.0 °C(Predicted)
比重(密度): 1.261 · 1.261±0.06 g/cm3(Predicted)
貯蔵温度: 2 · Keep in dark place,Inert atmosphere,2-8°C
外見: solid
酸解離定数(Pka): 1.33 · 1.33±0.20(Predicted)
色: White

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.