反应SMILES:Cc1nc2cc(O)ccc2s1
HCID699799

2-Methyl-1,3-benzothiazol-5-ol

C8H7NOS165.21 g/molCAS 68867-14-1

IDENTITY

结构与身份

标准SMILES
Cc1nc2cc(O)ccc2s1
InChIKey
LAKVUPMDDFICNR-UHFFFAOYSA-N
分子式
C8H7NOS
平均分子量
165.21 g/mol
单同位素质量
165.02483502

COMPUTED

结构计算性质

已同步
XLogP
2.4
极性表面积
61.4 Ų
氢键供体
1
氢键受体
3
可旋转键
0
重原子
11
形式电荷
0
复杂度
153

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)

Aggregated GHS information provided per 45 reports by companies from 4 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 (100%)

ALIASES

名称与别名

共 40 条
68867-14-12-methyl-1,3-benzothiazol-5-olDTXSID40351427RefChem:474760DTXCID80302493628-788-72-methylbenzo[d]thiazol-5-ol2-Methyl-5-benzothiazolol5-benzothiazolol, 2-methyl-MFCD001922762-METHYLBENZOTHIAZOL-5-OL5-Chloro-2-(2,4-dichlorophenoxy)-phenol-13C6 Acetate5-Chloro-2-(2,4-dichlorophenoxy)-phenol-13C6 1-Acetate2-methyl-benzothiazol-5-ol2-methyl- benzothiazol-5-olSCHEMBL282023SCHEMBL20895422-methyl-5-hydroxybenzothiazoleCHEMBL4534520SCHEMBL30106441

REACTIONS

参与反应

47
HRID22702

uspto-grants-2005_02

作为反应物
HRID 22702 方程式

uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06849632B2

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HRID101983

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

作为反应物
HRID 101983 方程式

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

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HRID126177

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

作为反应物
HRID 126177 方程式

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

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HRID156558

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

作为反应物
HRID 156558 方程式

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

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HRID161808

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

作为反应物
HRID 161808 方程式

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

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HRID425547

uspto-grants-2012_01

作为反应物
HRID 425547 方程式

uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08106087B2

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HRID459124

uspto-grants-2007_03

作为反应物
HRID 459124 方程式

uspto-grants-2007_03 · 10.6084/m9.figshare.5104873.v1 · US07192982B2

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HRID459306

uspto-grants-2007_03

作为反应物
HRID 459306 方程式

uspto-grants-2007_03 · 10.6084/m9.figshare.5104873.v1 · US07192982B2

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