Cas no 80945-80-8 (Benzothiazole,2-hydrazinyl-5-nitro-)
80945-80-8 structure
Product Name:Benzothiazole,2-hydrazinyl-5-nitro-
CAS No:80945-80-8
MF:C7H6N4O2S
MW:210.213139057159
CID:707935
PubChem ID:13796407
Update Time:2025-04-19
Benzothiazole,2-hydrazinyl-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzothiazole,2-hydrazinyl-5-nitro-
- 2(3H)-Benzothiazolone,5-nitro-,hydrazone(9CI)
- SCHEMBL11875528
- 80945-80-8
-
- Inchi： 1S/C7H6N4O2S/c8-10-7-9-5-3-4(11(12)13)1-2-6(5)14-7/h1-3H,8H2,(H,9,10)
- InChI Key： MCZYTJKXOWEBIH-UHFFFAOYSA-N
- SMILES： S1C(NN)=NC2C=C(C=CC1=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: 2
- Topological Polar Surface Area: 125?2
Experimental Properties
- PSA: 128.23000
- LogP: 2.13550
Benzothiazole,2-hydrazinyl-5-nitro- Related Literature
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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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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