Cas no 121343-91-7 (Benzothiazole,2-(2,2-dimethylhydrazinyl)-)
121343-91-7 structure
Product Name:Benzothiazole,2-(2,2-dimethylhydrazinyl)-
CAS No:121343-91-7
MF:C9H11N3S
MW:193.268739938736
CID:104751
Update Time:2024-01-24
Benzothiazole,2-(2,2-dimethylhydrazinyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzothiazole,2-(2,2-dimethylhydrazinyl)-
- 2(3H)-Benzothiazolone,dimethylhydrazone(9CI)
- Benzothiazole, 2-(2,2-dimethylhydrazinyl)-
-
- Inchi： 1S/C9H11N3S/c1-12(2)11-9-10-7-5-3-4-6-8(7)13-9/h3-6H,1-2H3,(H,10,11)
- InChI Key： RXJCAOVYSBMCLK-UHFFFAOYSA-N
- SMILES： S1C2=CC=CC=C2N=C1NN(C)C
Computed Properties
- Exact Mass: 193.06753
- Monoisotopic Mass: 193.067
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 174
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 56.4A^2
Experimental Properties
- Density: 1.26±0.1 g/cm3(Predicted)
- Boiling Point: 318.2±25.0 °C(Predicted)
- PSA: 28.16
- pka: 2.86±0.20(Predicted)
Benzothiazole,2-(2,2-dimethylhydrazinyl)- Related Literature
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1. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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