HRID146638
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看条件与参与物IDENTITY
结构与身份
- 标准 SMILES
- Cc1nc2cc(N)ccc2s1
- InChIKey
- GPWQHYMVUZYWIK-UHFFFAOYSA-N
- 分子式
- C8H8N2S
- 平均分子量
- 164.23 g/mol
- 单同位素质量
- 164.04081944
COMPUTED
结构计算性质
- XLogP
- 2.1
- 极性表面积
- 67.2 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
- 151
GHS
GHS 分类
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 6 reports by companies from 3 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
Hazard Classes and Categories
Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
USES
用途与制造
General Manufacturing Information
5-Benzothiazolamine, 2-methyl-: ACTIVE
ALIASES
名称与别名
13382-43-95-Amino-2-methylbenzothiazole2-Methyl-1,3-benzothiazol-5-amine5-Benzothiazolamine, 2-methyl-DTXSID0065430RefChem:532534DTXCID3034165678-795-42-Methylbenzo[d]thiazol-5-amineMFCD002262915-Amino-2-methyl-1,3-benzothiazole2-methylbenzothiazole-5-ylamineF3284-74432-methyl-5-benzothiazolamine2-methyl-5-aminobenzothiazole2-Methyl-1,3-benzothiazol-5-ylamine5-amino-2-methylbenzthiazoleCambridge id 51078422-methylbenzothiazol-5-amineSCHEMBL297202
REACTIONS
参与反应
HRID163679
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看条件与参与物HRID218107
uspto-grants-2012_06
作为反应物
uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08198313B2
查看条件与参与物HRID252300
uspto-grants-2011_01
作为反应物
uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07868034B2
查看条件与参与物HRID491571
uspto-grants-2009_05
作为反应物
uspto-grants-2009_05 · 10.6084/m9.figshare.5104873.v1 · US07531558B2
查看条件与参与物HRID491572
uspto-grants-2009_05
作为反应物
uspto-grants-2009_05 · 10.6084/m9.figshare.5104873.v1 · US07531558B2
查看条件与参与物HRID507351
uspto-grants-2010_08
作为反应物
uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07786152B2
查看条件与参与物HRID586556
uspto-grants-2005_08
作为反应物
uspto-grants-2005_08 · 10.6084/m9.figshare.5104873.v1 · US06936630B2
查看条件与参与物