2-(2-Hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid

HCID 327595

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 72678-82-1
標準SMILES: O=C(O)C1CSC(c2ccccc2O)N1
InChIKey: APAUAYLVDHNFBF-UHFFFAOYSA-N
分子式: C10H11NO3S
平均分子量: 225.27 g/mol
単同位体質量: 225.04596439

名称と識別子

優先名称: 2-(2-Hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
IUPAC: 2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid

名称と別名

72678-82-12-(2-hydroxyphenyl)thiazolidine-4-carboxylic acid2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acidMFCD004474772-(2-Hydroxy-phenyl)-thiazolidine-4-carboxylic acid2-(2-hydroxyphenyl)-4-thiazolidinecarboxylic acid(2R)-2-(2-Hydroxyphenyl)thiazolidine-4-carboxylic acidNSC303516CBDivE_010728SCHEMBL5346350SCHEMBL30683725DTXSID70316423

名称をさらに表示

AKOS BBS-00007527SBB027460AKOS000273989AKOS016040209NSC 303516NSC-303516SB48018DA-28620

データベース識別子

CAS: 72678-82-1
PubChem CID: 327595
DTXSID: DTXSID70316423
EC Number: 104-149-3

物性

構造計算による物性

XLogP: -1.2
極性表面積: 94.9 Å²
水素結合供与体数: 3
水素結合受容体数: 5
回転可能結合数: 2
重原子数: 15
形式電荷: 0
複雑度: 249

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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.