Cas no 26488-55-1 (2-Benzothiazolamine, 6-chloro-4-nitro-)
26488-55-1 structure
Product Name:2-Benzothiazolamine, 6-chloro-4-nitro-
CAS No:26488-55-1
MF:C7H4ClN3O2S
MW:229.643558502197
CID:237786
PubChem ID:4267524
Update Time:2025-04-19
2-Benzothiazolamine, 6-chloro-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 2-Benzothiazolamine, 6-chloro-4-nitro-
- 6-chloro-4-nitro-1,3-benzothiazol-2-amine
- 26488-55-1
- SCHEMBL10966407
- DTXSID30401400
-
- Inchi: 1S/C7H4ClN3O2S/c8-3-1-4(11(12)13)6-5(2-3)14-7(9)10-6/h1-2H,(H2,9,10)
- InChI Key: ZEKNJAQJEFFEHM-UHFFFAOYSA-N
- SMILES: ClC1C=C(C2=C(C=1)SC(N)=N2)[N+](=O)[O-]
Computed Properties
- Exact Mass: 228.9712752g/mol
- Monoisotopic Mass: 228.9712752g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 250
- 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: 2.5
- Topological Polar Surface Area: 113?2
2-Benzothiazolamine, 6-chloro-4-nitro- Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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