Cas no 16349-40-9 (2,6-Benzothiazolediamine,N2,N2-dimethyl-)
16349-40-9 structure
Product Name:2,6-Benzothiazolediamine,N2,N2-dimethyl-
CAS No:16349-40-9
MF:C9H11N3S
MW:193.268739938736
CID:121594
Update Time:2024-01-24
2,6-Benzothiazolediamine,N2,N2-dimethyl- Chemical and Physical Properties
Names and Identifiers
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- 2,6-Benzothiazolediamine,N2,N2-dimethyl-
- 2,6-Benzothiazolediamine,N2,N2-dimethyl-(9CI)
- 2,6-Benzothiazolediamine, N2,N2-dimethyl-
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- Inchi： 1S/C9H11N3S/c1-12(2)9-11-7-4-3-6(10)5-8(7)13-9/h3-5H,10H2,1-2H3
- InChI Key： XBRPZCYYIMNUQG-UHFFFAOYSA-N
- SMILES： S1C(=NC2C([H])=C([H])C(=C([H])C1=2)N([H])[H])N(C([H])([H])[H])C([H])([H])[H]
Computed Properties
- Exact Mass: 193.067
- 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: 1
- Complexity: 186
- 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: 2.1
- Topological Polar Surface Area: 70.4A^2
Experimental Properties
- Density: 1.319±0.06 g/cm3(Predicted)
- Boiling Point: 342.2±34.0 °C(Predicted)
- pka: 6.01±0.10(Predicted)
2,6-Benzothiazolediamine,N2,N2-dimethyl- Related Literature
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1. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Masrudin Md Yusoff,Muggundha Raoov,Noorfatimah Yahaya,Noorashikin Md Salleh RSC Adv., 2017,7, 35832-35844
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