2-ピリジルエチルメルカプタン

2-Pyridineethanethiol

HCID 150963

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 2044-28-2
標準SMILES: SCCc1ccccn1
InChIKey: NJUDGWVAKJCALG-UHFFFAOYSA-N
分子式: C7H9NS
平均分子量: 139.22 g/mol
単同位体質量: 139.04557029

概要

RN given refers to parent cpd; structure in first source

名称と識別子

優先名称: 2-Pyridineethanethiol
IUPAC: 2-pyridin-2-ylethanethiol
現地名: 2-ピリジルエチルメルカプタン
英語名: 2-Pyridylethylmercaptan
分子式: C7H9NS
分子量: 139.22

名称と別名

2-Pyridineethanethiol2044-28-22-MercaptoethylpyridineDTXSID10174387RefChem:87783DTXCID30968782-Pyridylethylmercaptan2-(Pyridin-2-yl)ethane-1-thiol2-pyridin-2-ylethanethiol2-(2-Pyridyl)ethanethiol2-(pyridin-2-yl)ethanethiolMFCD00270069

名称をさらに表示

2-ピリジルエチルメルカプタン2-(2-Thioethyl)pyridine2-(2-mercaptoethyl)pyridine

2-(2-Pyridyl)ethylmercaptan2-mercapto-ethylpyridine2-pyridylethyl mercaptan2-Pyridin-2-yl-ethanethiolSCHEMBL177695SCHEMBL178093SCHEMBL6797667SCHEMBL27554216

データベース識別子

CAS: 2044-28-2
PubChem CID: 150963
DTXSID: DTXSID10174387
EC Number: 806-242-0
Nikkaji: J1.830.407D

物性

構造計算による物性

XLogP: 1.1
極性表面積: 13.9 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 9
形式電荷: 0
複雑度: 75.3

物理化学的性質

沸点: 48 °C · 48°C /0.18 mm
貯蔵温度: Refrigerator, Under Inert Atmosphere
溶解性: soluble in Chloroform
外見: Oil
色: Colourless to Pale Yellow
InChI: 1S/C7H9NS/c9-6-4-7-3-1-2-5-8-7/h1-3,5,9H,4,6H2
InChIKey: NJUDGWVAKJCALG-UHFFFAOYSA-N
SMILES: SCCc1ccccn1

化学的性質

化学的特性Clear Colourless Liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.