3-Methylthiophene-2-sulfonamide

HCID 341083

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 81417-51-8
標準SMILES: Cc1ccsc1S(N)(=O)=O
InChIKey: CCCDPFVJVPDYRU-UHFFFAOYSA-N
分子式: C5H7NO2S2
平均分子量: 177.2 g/mol
単同位体質量: 176.99182081

名称と識別子

優先名称: 3-Methylthiophene-2-sulfonamide
IUPAC: 3-methylthiophene-2-sulfonamide
英語名: 2-Thiophenesulfonamide,3-methyl-(9CI)
分子式: C5H7NO2S2
分子量: 177.24

名称と別名

3-Methylthiophene-2-sulfonamideRefChem:504372858-954-681417-51-83-Methyl-2-thiophenesulfonamide2-Thiophenesulfonamide,3-methyl-(9CI)NSC372540SCHEMBL2068726SCHEMBL281898333-methyl-thiophene-2-sulfonamideDTXSID003212672-Thiophenesulfonamide, 3-methyl-

名称をさらに表示

3-Methyl-2-thiophenesulfonamide #GDA41751AKOS013154385NSC-372540DB-282706EN300-208181G53840F515379

データベース識別子

CAS: 81417-51-8
PubChem CID: 341083
DTXSID: DTXSID00321267
EC Number: 858-954-6
Nikkaji: J1.398.740H

物性

構造計算による物性

XLogP: 0.9
極性表面積: 96.8 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 206

物理化学的性質

沸点: 345.3 · 345.3±44.0 °C(Predicted)
比重(密度): 1.427 · 1.427±0.06 g/cm3(Predicted)
貯蔵温度: Store at Room Tem.
酸解離定数(Pka): 10.03 · 10.03±0.60(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, 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)

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