Cas no 406224-63-3 (4-Amino-2,1,3-benzothiadiazole-7-carbonitrile)
406224-63-3 structure
Product Name:4-Amino-2,1,3-benzothiadiazole-7-carbonitrile
CAS No:406224-63-3
MF:C7H4N4S
MW:176.19845867157
CID:2641442
PubChem ID:23395159
Update Time:2025-04-21
4-Amino-2,1,3-benzothiadiazole-7-carbonitrile Chemical and Physical Properties
Names and Identifiers
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- SCHEMBL13199488
- 7-Aminobenzo[c][1,2,5]thiadiazole-4-carbonitrile
- 406224-63-3
- DB-186501
- 7-Amino-2,1,3-benzothiadiazole-4-carbonitrile
- 4-Amino-2,1,3-benzothiadiazole-7-carbonitrile
-
- Inchi： 1S/C7H4N4S/c8-3-4-1-2-5(9)7-6(4)10-12-11-7/h1-2H,9H2
- InChI Key： ZDUVZZXETOSKLX-UHFFFAOYSA-N
- SMILES： S1N=C2C(C#N)=CC=C(C2=N1)N
Computed Properties
- Exact Mass: 176.01566732Da
- Monoisotopic Mass: 176.01566732Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 223
- 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: 0.8
- Topological Polar Surface Area: 104?2
4-Amino-2,1,3-benzothiadiazole-7-carbonitrile Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
406224-63-3 (4-Amino-2,1,3-benzothiadiazole-7-carbonitrile) Related Products
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