Cas no 80945-68-2 (Benzothiazole,2-hydrazinyl-4-nitro-)
80945-68-2 structure
Product Name:Benzothiazole,2-hydrazinyl-4-nitro-
CAS No:80945-68-2
MF:C7H6N4O2S
MW:210.213139057159
CID:707926
PubChem ID:45077387
Update Time:2025-04-19
Benzothiazole,2-hydrazinyl-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzothiazole,2-hydrazinyl-4-nitro-
- 2(3H)-Benzothiazolone,4-nitro-,hydrazone(9CI)
- 2-hydrazino-4-methyl-6-trifluoromethylpyrimidine
- 2-hydrazino-4-methyl-thiazole
- 2-hydrazino-4-nitro-1,3-benzothiazole
- 6-methyl-4-trifluoromethyl-2-pyrimidinyl hydrazine
- 80945-68-2
- (4-nitro-1,3-benzothiazol-2-yl)hydrazine
- (Z)-2-Hydrazono-4-nitro-2,3-dihydrobenzo[d]thiazole
- SCHEMBL11210857
- CHEMBL1241422
-
- Inchi： 1S/C7H6N4O2S/c8-10-7-9-6-4(11(12)13)2-1-3-5(6)14-7/h1-3H,8H2,(H,9,10)
- InChI Key： AVDOFMGETZDDRR-UHFFFAOYSA-N
- SMILES： S1C(NN)=NC2C(=CC=CC1=2)[N+](=O)[O-]
Computed Properties
- Exact Mass: 210.02100
- Monoisotopic Mass: 210.021
- 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
- Topological Polar Surface Area: 125A^2
- XLogP3: 1.8
Experimental Properties
- PSA: 128.23000
- LogP: 2.13550
Benzothiazole,2-hydrazinyl-4-nitro- Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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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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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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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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