结构:Cc1nc2ccc(O)cc2s1
HCID759304

2-Methyl-1,3-benzothiazol-6-ol

C8H7NOS165.21 g/molCAS 68867-18-5

IDENTITY

结构与身份

标准 SMILES
Cc1nc2ccc(O)cc2s1
InChIKey
ROFBPPIQUBJMRO-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

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];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, P270, P271, P280, P301+P317, 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)

Aggregated GHS information provided per 44 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

Acute Tox. 4 (100%);Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);STOT SE 3 (100%)

ALIASES

名称与别名

32
68867-18-52-Methyl-1,3-benzothiazol-6-olDTXSID90353931RefChem:474762DTXCID00304994685-681-82-methylbenzo[d]thiazol-6-ol2-Methyl-6-benzothiazolol2-methylbenzothiazol-6-olMFCD002272346-benzothiazolol, 2-methyl-6-Hydroxy-2-methylbenzothiazole2-Methyl-benzothiazol-6-olSCHEMBL906835orb3029778SCHEMBL12188242-methyl-6-hydroxybenzothiazoleCHEMBL45331876-Hydroxy-2-methyl-benzothiazoleROFBPPIQUBJMRO-UHFFFAOYSA-N

REACTIONS

参与反应

12
HRID199432

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物
HRID 199432 方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

查看条件与参与物
HRID692548

Training data from https://doi.org/10.1039/C8SC04228D (3/10)

作为反应物
HRID 692548 方程式

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

查看条件与参与物
HRID959263

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

作为反应物
HRID 959263 方程式

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

查看条件与参与物