Cas no 1420969-64-7 (3-(2-Methylpiperazin-1-yl)benzo[d]isothiazole hydrochloride)
![3-(2-Methylpiperazin-1-yl)benzo[d]isothiazole hydrochloride structure](https://ossimg.kuujia.com/scimg/1421000/1420969-64-7x500.png)
1420969-64-7 structure
Product Name:3-(2-Methylpiperazin-1-yl)benzo[d]isothiazole hydrochloride
CAS No:1420969-64-7
MF:C12H16ClN3S
MW:269.793540000916
CID:2177731
Update Time:2023-08-06
3-(2-Methylpiperazin-1-yl)benzo[d]isothiazole hydrochloride Chemical and Physical Properties
Names and Identifiers
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- 3-(2-Methylpiperazin-1-yl)benzo[d]isothiazole hydrochloride
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- Inchi： 1S/C12H15N3S.ClH/c1-9-8-13-6-7-15(9)12-10-4-2-3-5-11(10)16-14-12;/h2-5,9,13H,6-8H2,1H3;1H
- InChI Key： RZYBDOYTYUKOCF-UHFFFAOYSA-N
- SMILES： Cl.S1C2C=CC=CC=2C(=N1)N1CCNCC1C
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 248
- Topological Polar Surface Area: 56.4
3-(2-Methylpiperazin-1-yl)benzo[d]isothiazole hydrochloride Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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