uspto-grants-2002_11 · 10.6084/m9.figshare.5104873.v1 · US06482772B1
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IDENTITY
结构与身份
- 标准SMILES
- CCCOP(=S)(OCCC)SCC(=O)N1CCCCC1C
- InChIKey
- UNLYSVIDNRIVFJ-UHFFFAOYSA-N
- 分子式
- C14H28NO3PS2
- 平均分子量
- 353.5 g/mol
- 单同位素质量
- 353.1248231
COMPUTED
结构计算性质
- XLogP
- 4.2
- 极性表面积
- 96.2 Ų
- 氢键供体
- 0
- 氢键受体
- 5
- 可旋转键
- 9
- 重原子
- 21
- 形式电荷
- 0
- 复杂度
- 356
PROPERTIES
实验与物化性质
Kovats Retention Index
2464；2471；2466；2469；2486；2466
3400
GHS
GHS分类
GHS Classification
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]；H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Danger
HAZARDS
危害信息
Hazard Classes and Categories
Acute Tox. 4 (100%)；Acute Tox. 2 (58.2%)；Aquatic Acute 1 (100%)；Aquatic Chronic 1 (100%)
Acute toxicity - category 4；Hazardous to the aquatic environment (acute) - category 1；Hazardous to the aquatic environment (chronic) - category 1
Acute toxicity (Oral) - Category 4；Hazardous to the aquatic environment (Acute) - Category 2；Hazardous to the aquatic environment (Long-term) - Category 2
Acute Tox. 4 *；Aquatic Acute 1；Aquatic Chronic 1
ALIASES
名称与别名
PIPEROPHOS24151-93-7NZQ0DO501JDTXSID8058031C-19490Phosphorodithioic acid, O,O-dipropyl ester, S-ester with 1-(mercaptoacetyl)-2-pipecolineRefChem:174464DTXCID7031799RilofAvirosanC 19490Piperofos1-(Di-N-propoxyphosphinothioylthiomethylcarbonyl-2-methylpiperidine)O,O-Dipropyl S-2-methyl-piperidinocarbonyl-methyl phosphorodithioatePhosphorodithioic acid, O,O-dipropyl S-(2-pipecolinocarbonylmethyl) esterPiperophos [BSI:ISO]S-(2-(2-methylpiperidin-1-yl)-2-oxoethyl) O,O-dipropyl phosphorodithioatePhosphorodithioic acid, S-[2-(2-methyl-1-piperidinyl)-2-oxoethyl] O,O-dipropyl esterUNII-NZQ0DO501JC14H28NO3PS2
REACTIONS
参与反应
uspto-grants-2001_06 · 10.6084/m9.figshare.5104873.v1 · US06242382B1
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