HCID70777

4'-Mercaptoacetanilide

N-(4-sulfanylphenyl)acetamide

C8H9NOS167.23 g/molCAS 1126-81-4

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IDENTITY

结构与身份

标准SMILES: CC(=O)Nc1ccc(S)cc1
InChIKey: AYEQJLOHMLYKAV-UHFFFAOYSA-N
分子式: C8H9NOS
平均分子量: 167.23 g/mol
单同位素质量: 167.04048508

COMPUTED

结构计算性质

已同步

XLogP: 1.7
极性表面积: 30.1 Å²
氢键供体: 2
氢键受体: 2
可旋转键: 1
重原子: 11
形式电荷: 0
复杂度: 141

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 (97.9%): 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)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)

ALIASES

名称与别名

共 59 条

4-Acetamidothiophenol1126-81-44'-Mercaptoacetanilide4-MercaptoacetanilideEINECS 214-427-7DTXSID60150116NSC 34851RefChem:506159DTXCID4072607214-427-7N-(4-Sulfanylphenyl)acetamide4-AcetamidobenzenethiolN-(4-mercaptophenyl)acetamide4-AcetylaminothiophenolAcetanilide, 4'-mercapto-Acetamide, N-(4-mercaptophenyl)-4-Acetaminothiophenol4-(Acetylamino)benzenethiolMFCD00004848p-Acetamidothiophenol

REACTIONS

参与反应

132 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID6026

uspto-grants-1993_09

作为反应物

uspto-grants-1993_09 · 10.6084/m9.figshare.5104873.v1 · US05246961

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HRID7606

uspto-grants-2006_08

作为反应物

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07087603B2

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HRID7612

uspto-grants-2006_08

作为反应物

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07087603B2

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HRID7621

uspto-grants-2006_08

作为反应物

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07087603B2

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HRID37551

uspto-grants-1995_05

作为反应物

uspto-grants-1995_05 · 10.6084/m9.figshare.5104873.v1 · US05420298

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HRID96613

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID99780

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID99824

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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