2-(2-Methanesulfonamido-1,3-thiazol-4-yl)acetic acid

HCID 3159575

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 62557-05-5
標準SMILES: CS(=O)(=O)Nc1nc(CC(=O)O)cs1
InChIKey: FOYGOEJLNFZKGH-UHFFFAOYSA-N
分子式: C6H8N2O4S2
平均分子量: 236.3 g/mol
単同位体質量: 235.99254909

名称と識別子

優先名称: 2-(2-Methanesulfonamido-1,3-thiazol-4-yl)acetic acid
IUPAC: 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetic acid
英語名: {2-[(METHYLSULFONYL)AMINO]-1,3-THIAZOL-4-YL}ACETIC ACID
分子式: C6H8N2O4S2
分子量: 236.27

名称と別名

2-(2-methanesulfonamido-1,3-thiazol-4-yl)acetic acidRefChem:454015874-031-062557-05-5{2-[(methylsulfonyl)amino]-1,3-thiazol-4-yl}acetic acid2-(2-(methylsulfonamido)thiazol-4-yl)acetic acidMFCD071863832-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetic acid(2-[(Methylsulfonyl)amino]-1,3-thiazol-4-yl)acetic acid2-[2-(methanesulfonamido)thiazol-4-yl]acetic acid4-Thiazoleacetic acid, 2-[(methylsulfonyl)amino]-2-{2-[(methylsulfonyl)amino]-1,3-thiazol-4-yl}acetic acid

名称をさらに表示

2-[(methylsulfonyl)amino]-4-Thiazoleacetic acid2-(2-methanesulfonamidothiazol-4-yl)acetic acid2-(2-methanesulfonamido-4-thiazolyl)acetic acid2-[2-(methylsulfonylamino)-1,3-thiazol-4-yl]ethanoic acid

2-(2-methanesulfonamidothiazol-4-yl)-acetic acidCHEMBL502103SCHEMBL9481455DTXSID40390174FOYGOEJLNFZKGH-UHFFFAOYSA-NALBB-015777BBL013007SBB085408

データベース識別子

CAS: 62557-05-5
PubChem CID: 3159575
DTXSID: DTXSID40390174
ChEMBL: CHEMBL502103
EC Number: 874-031-0

物性

構造計算による物性

XLogP: -0.2
極性表面積: 133 Å²
水素結合供与体数: 2
水素結合受容体数: 7
回転可能結合数: 4
重原子数: 14
形式電荷: 0
複雑度: 310

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.