Tetrahydro-N-methylthiophen-3-amine 1,1-dioxide 分子结构式
HCID2736805

Tetrahydro-N-methylthiophen-3-amine 1,1-dioxide

N-methyl-1,1-dioxothiolan-3-amine

C5H11NO2S149.21 g/molCAS 51070-55-4

IDENTITY

结构与身份

标准SMILES
CNC1CCS(=O)(=O)C1
InChIKey
MGNJNMNVFHVRHJ-UHFFFAOYSA-N
分子式
C5H11NO2S
平均分子量
149.21 g/mol
单同位素质量
149.05104977

COMPUTED

结构计算性质

已同步
XLogP
-0.6
极性表面积
54.6 Ų
氢键供体
1
氢键受体
3
可旋转键
1
重原子
9
形式电荷
0
复杂度
180

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

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, 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)

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

Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);STOT SE 3 (100%)

ALIASES

名称与别名

共 42 条
EINECS 256-947-73-Thiophenamine, tetrahydro-N-methyl-, 1,1-dioxideTetrahydro-N-methylthiophen-3-amine 1,1-dioxideRefChem:897157256-947-751070-55-43-(Methylamino)tetrahydrothiophene 1,1-dioxideN-methyl-1,1-dioxothiolan-3-amine(1,1-dioxidotetrahydro-3-thienyl)methylamine3-(methylamino)-1lambda6-thiolane-1,1-dioneMFCD00053546(1,1-Dioxo-tetrahydrothiophen-3-yl)-methylamineN-Methyl-1,1-dioxo-thiolan-3-aminen-(1,1-dioxidotetrahydrothien-3-yl)-n-methylamine3-(methylamino)thiolane-1,1-dioneIFLab1_0043983-methylaminosulfolane3-(Methylamino)tetrahydrothiophene1,1-dioxideOprea1_189097Oprea1_468639

REACTIONS

参与反应

7
HRID 708003 反应方程式

uspto-grants-2015_11 · 10.6084/m9.figshare.5104873.v1 · US09175009B2

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HRID 953714 反应方程式

Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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HRID 1116339 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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HRID 1190459 反应方程式

uspto-grants-2014_03 · 10.6084/m9.figshare.5104873.v1 · US08673952B2

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HRID 1842017 反应方程式

uspto-grants-2015_02 · 10.6084/m9.figshare.5104873.v1 · US08946203B2

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HRID 1849180 反应方程式

uspto-grants-2015_02 · 10.6084/m9.figshare.5104873.v1 · US08952043B2

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HRID 2385785 反应方程式

uspto-grants-2012_09 · 10.6084/m9.figshare.5104873.v1 · US08263633B2

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