HCID2820896

Methyl 3-aminothieno(2,3-b)pyridine-2-carboxylate

methyl 3-aminothieno[2,3-b]pyridine-2-carboxylate

C9H8N2O2S208.24 g/molCAS 111042-89-8

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: COC(=O)c1sc2ncccc2c1N
InChIKey: STCNNBXPNILVDE-UHFFFAOYSA-N
分子式: C9H8N2O2S
平均分子量: 208.24 g/mol
单同位素质量: 208.03064868

COMPUTED

结构计算性质

已同步

XLogP: 2.3
极性表面积: 93.5 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 2
重原子: 14
形式电荷: 0
复杂度: 237

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Acute Tox. 4 (100%)；Acute Tox. 4 (100%)；Acute Tox. 4 (100%)

ALIASES

名称与别名

共 39 条

methyl 3-aminothieno[2,3-b]pyridine-2-carboxylate111042-89-8DTXSID20384874Methyl 3-aminothieno(2,3-b)pyridine-2-carboxylateRefChem:1089401DTXCID90335898MFCD00174679methyl 3-aminothiopheno[2,3-b]pyridine-2-carboxylateMethyl-3-aminothiopheno[2,3-b]pyridine-2-carboxylate3-Aminothieno[2,3-b]pyridine-2-carboxylic acid methyl esterThieno[2,3-b]pyridine-2-carboxylicacid, 3-amino-, methyl esterMaybridge3_003823orb3029760SCHEMBL2896095HMS1441N17HMS3436J08Fr21232ALBB-004827CCG-56260SBB014196

REACTIONS

参与反应

6 条

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07732477B2

查看

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

查看

uspto-grants-1993_12 · 10.6084/m9.figshare.5104873.v1 · US05272148

查看

uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08884017B2

查看

uspto-grants-2011_12 · 10.6084/m9.figshare.5104873.v1 · US08076355B2

查看

Training data from https://doi.org/10.1039/C8SC04228D (10/10) · 10.1039/C8SC04228D

查看