CAS: 87691-87-0
名称: 3-piperazin-1-yl-1,2-benzothiazole
SMILES:
C1CN(CCN1)C2=NSC3=CC=CC=C32分子加工
分子式
C11H13N3S
分子量
219.31
精确质量
219.083
XLogP
1.71
TPSA
28.16
氢键给体数
1
氢键受体数
4
可旋转键
1
重原子数
15
环数
3
芳香环
2
饱和环
1
脂环
1
立体中心
0
未定义立体
0
形式电荷
0
杂原子数
4
共价单元
1
sp3占比
0.364
摩尔折射率
64.7
补充信息
InChIKey: KRDOFMHJLWKXIU-UHFFFAOYSA-N
同义词
3-(1-Piperazinyl)-1,2-benzisothiazole87691-87-03-(piperazin-1-yl)benzo[d]isothiazole3-Piperazin-1-yl-benzo[d]isothiazole1,2-Benzisothiazole, 3-(1-piperazinyl)-N-(3-Benzisothiazolyl)piperazineUNII-59D8RAT1F93-Piperazin-1-yl-benzo(d)isothiazole3-PIPERAZIN-1-YL-1,2-BENZISOTHIAZOLE3-(Piperazin-1-yl)benzo(d)isothiazole59D8RAT1F9ID-11614MJ-14069ZIPRASIDONE (M5)LURASIDONE METABOLITE M1DTXSID70236556Ziprasidone hydrochloride monohydrate specified impurity A [EP]1-(1,2-BENZISOTHIAZOL-3-YL)PIPERAZINEZIPRASIDONE MESILATE TRIHYDRATE IMPURITY A [EP IMPURITY]ZIPRASIDONE HYDROCHLORIDE MONOHYDRATE IMPURITY A [EP IMPURITY]ZIPRASIDONE MESILATE TRIHYDRATE IMPURITY A (EP IMPURITY)ZIPRASIDONE HYDROCHLORIDE MONOHYDRATE IMPURITY A (EP IMPURITY)RefChem:92068DTXCID00159047Ziprasidone hydrochloride monohydrate specified impurity A618-048-13-piperazin-1-yl-1,2-benzothiazole3-(piperazin-1-yl)-1,2-benzothiazoleMFCD04117970Ziprasidone EP Impurity A
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