Cas no 4057-61-8 (1,2,5-Thiadiazole, 3,4-diphenyl-)
4057-61-8 structure
Product Name:1,2,5-Thiadiazole, 3,4-diphenyl-
CAS No:4057-61-8
MF:C14H10N2S
MW:238.307601451874
CID:1512702
PubChem ID:585569
Update Time:2025-04-21
1,2,5-Thiadiazole, 3,4-diphenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,5-Thiadiazole, 3,4-diphenyl-
- 3,4-diphenyl-1,2,5-thiadiazole
- DTXSID40342895
- 4057-61-8
- Diphenyl-1,2,5-thiadiazole
- SCHEMBL7213630
- KHQSDNWSSKXRSS-UHFFFAOYSA-N
- 3,4-Diphenyl-[1,2,5]thiadiazole
- 3,4-Diphenyl-1,2,5-thiadiazole #
-
- Inchi： 1S/C14H10N2S/c1-3-7-11(8-4-1)13-14(16-17-15-13)12-9-5-2-6-10-12/h1-10H
- InChI Key： KHQSDNWSSKXRSS-UHFFFAOYSA-N
- SMILES： S1N=C(C2C=CC=CC=2)C(C2C=CC=CC=2)=N1
Computed Properties
- Exact Mass: 238.0566
- Monoisotopic Mass: 238.05646950g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 210
- 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: 4.4
- Topological Polar Surface Area: 54?2
Experimental Properties
- PSA: 25.78
1,2,5-Thiadiazole, 3,4-diphenyl- Related Literature
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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