Cas no 4057-62-9 (1,2,5-Thiadiazole, 3-phenyl-)
1,2,5-Thiadiazole, 3-phenyl- structure
Product Name:1,2,5-Thiadiazole, 3-phenyl-
CAS No:4057-62-9
MF:C8H6N2S
MW:162.211639881134
CID:1512460
PubChem ID:12366043
Update Time:2025-04-21
1,2,5-Thiadiazole, 3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,5-Thiadiazole, 3-phenyl-
- 3-phenyl-1,2,5-thiadiazole
- 4057-62-9
- DTXSID60494466
- SCHEMBL4559345
- AKOS006372724
-
- Inchi: 1S/C8H6N2S/c1-2-4-7(5-3-1)8-6-9-11-10-8/h1-6H
- InChI Key: UNEXGUNKELZLTG-UHFFFAOYSA-N
- SMILES: S1N=CC(C2C=CC=CC=2)=N1
Computed Properties
- Exact Mass: 162.02528
- Monoisotopic Mass: 162.02516937g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 123
- 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: 54?2
Experimental Properties
- PSA: 25.78
1,2,5-Thiadiazole, 3-phenyl- Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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