HCID12381498

1,2-Benzisothiazol-3(2H)-one, 5-methoxy-, 1,1-dioxide

5-methoxy-1,1-dioxo-1,2-benzothiazol-3-one

C8H7NO4S213.21 g/molCAS 29083-17-8

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IDENTITY

结构与身份

标准SMILES: COc1ccc2c(c1)C(=O)NS2(=O)=O
InChIKey: GBYZSABEBYQOOQ-UHFFFAOYSA-N
分子式: C8H7NO4S
平均分子量: 213.21 g/mol
单同位素质量: 213.00957888

COMPUTED

结构计算性质

已同步

XLogP: 0.9
极性表面积: 80.9 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 1
重原子: 14
形式电荷: 0
复杂度: 345

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 23 条

29083-17-81,2-Benzisothiazol-3(2H)-one, 5-methoxy-, 1,1-dioxideRefChem:2155765-methoxybenzo[d]isothiazol-3(2H)-one 1,1-dioxide5-methoxy-1,1-dioxo-1,2-benzothiazol-3-oneMFCD111117145-methoxy-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione5-methoxysaccharinSCHEMBL6191881SCHEMBL30873089GBYZSABEBYQOOQ-UHFFFAOYSA-NDTXSID201214359AKOS026726738CS-0109753EN300-126204H111215-methoxy-benzisothiazole-3(2H)-one-1,1-dioxideF5334705-methoxybenzo[d]isothiazol-3(2H)-one1,1-dioxide5-Methoxy-1,2-benzisothiazol-3(2H)-one-1,1-dioxide

REACTIONS

参与反应

3 条

uspto-grants-1980_11 · 10.6084/m9.figshare.5104873.v1 · US04233299

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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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uspto-grants-2004_04 · 10.6084/m9.figshare.5104873.v1 · US06716836B2

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