Cas no 80945-67-1 (Benzothiazole,2-hydrazinyl-7-methyl-)
80945-67-1 structure
Product Name:Benzothiazole,2-hydrazinyl-7-methyl-
CAS No:80945-67-1
MF:C8H9N3S
MW:179.242159605026
CID:707925
PubChem ID:21329939
Update Time:2025-04-19
Benzothiazole,2-hydrazinyl-7-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzothiazole,2-hydrazinyl-7-methyl-
- 2(3H)-Benzothiazolone,7-methyl-,hydrazone(9CI)
- 2-hydrazino-7-methyl-benzothiazole
- 80945-67-1
- AKOS006342704
- 2-Hydrazinyl-7-methylbenzothiazole
- SCHEMBL11536233
- SCHEMBL2136849
- DTXSID501297055
-
- Inchi： 1S/C8H9N3S/c1-5-3-2-4-6-7(5)12-8(10-6)11-9/h2-4H,9H2,1H3,(H,10,11)
- InChI Key： DGKGVSMWSIEPEK-UHFFFAOYSA-N
- SMILES： S1C(NN)=NC2=CC=CC(C)=C12
Computed Properties
- Exact Mass: 179.05200
- Monoisotopic Mass: 179.05171847g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 164
- 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: 2.3
- Topological Polar Surface Area: 79.2?2
Experimental Properties
- PSA: 82.41000
- LogP: 2.01250
Benzothiazole,2-hydrazinyl-7-methyl- Related Literature
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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