Cas no 34601-82-6 (Benzothiazole,5-nitro-2-propyl-)
34601-82-6 structure
Product Name:Benzothiazole,5-nitro-2-propyl-
CAS No:34601-82-6
MF:C10H10N2O2S
MW:222.263600826263
CID:294997
PubChem ID:45077613
Update Time:2025-04-19
Benzothiazole,5-nitro-2-propyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzothiazole,5-nitro-2-propyl-
- Benzothiazole, 5-nitro-2-propyl- (9CI)
- 34601-82-6
- 5-nitro-2-propyl-1,3-benzothiazole
- 2-propyl-5-nitrobenzothiazole
-
- Inchi： 1S/C10H10N2O2S/c1-2-3-10-11-8-6-7(12(13)14)4-5-9(8)15-10/h4-6H,2-3H2,1H3
- InChI Key： JWLOACNUTQEZJQ-UHFFFAOYSA-N
- SMILES： S1C2C=CC(=CC=2N=C1CCC)[N+](=O)[O-]
Computed Properties
- Exact Mass: 222.0464
- Monoisotopic Mass: 222.046
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 244
- 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
- Topological Polar Surface Area: 87A^2
- XLogP3: 3.4
Experimental Properties
- PSA: 56.03
Benzothiazole,5-nitro-2-propyl- Related Literature
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1. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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3. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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