Cas no 287976-96-9 (2,1,3-Benzothiadiazole, 4,7-diphenyl-)
287976-96-9 structure
Product Name:2,1,3-Benzothiadiazole, 4,7-diphenyl-
CAS No:287976-96-9
MF:C18H12N2S
MW:288.366282463074
CID:1436855
PubChem ID:57894857
Update Time:2025-04-20
2,1,3-Benzothiadiazole, 4,7-diphenyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,1,3-Benzothiadiazole, 4,7-diphenyl-
- 4,7-diphenyl-2,1,3-benzothiadiazole
- 287976-96-9
- 4,7-Diphenylbenzo[c][1,2,5]thiadiazole
- DTXSID00728237
- SCHEMBL721818
-
- Inchi： 1S/C18H12N2S/c1-3-7-13(8-4-1)15-11-12-16(14-9-5-2-6-10-14)18-17(15)19-21-20-18/h1-12H
- InChI Key： BFTONFBWVCVMTD-UHFFFAOYSA-N
- SMILES： S1N=C2C(C(=CC=C2C2C=CC=CC=2)C2C=CC=CC=2)=N1
Computed Properties
- Exact Mass: 288.07226
- Monoisotopic Mass: 288.07211956g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 304
- 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: 5
- Topological Polar Surface Area: 54?2
Experimental Properties
- PSA: 25.78
2,1,3-Benzothiadiazole, 4,7-diphenyl- Related Literature
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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