Cas no 80945-81-9 (Benzothiazole,2-hydrazinyl-7-nitro-)
80945-81-9 structure
Product Name:Benzothiazole,2-hydrazinyl-7-nitro-
CAS No:80945-81-9
MF:C7H6N4O2S
MW:210.213139057159
CID:707936
PubChem ID:45077385
Update Time:2025-04-19
Benzothiazole,2-hydrazinyl-7-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzothiazole,2-hydrazinyl-7-nitro-
- 2(3H)-Benzothiazolone,7-nitro-,hydrazone(9CI)
- 80945-81-9
-
- Inchi： 1S/C7H6N4O2S/c8-10-7-9-4-2-1-3-5(11(12)13)6(4)14-7/h1-3H,8H2,(H,9,10)
- InChI Key： ZBSDVUHAWSBWMC-UHFFFAOYSA-N
- SMILES： S1C(NN)=NC2C=CC=C(C1=2)[N+](=O)[O-]
Computed Properties
- Exact Mass: 210.02100
- Monoisotopic Mass: 210.02114662g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 234
- 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: 1.8
- Topological Polar Surface Area: 125?2
Experimental Properties
- PSA: 128.23000
- LogP: 2.13550
Benzothiazole,2-hydrazinyl-7-nitro- Related Literature
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
80945-81-9 (Benzothiazole,2-hydrazinyl-7-nitro-) Related Products
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