Cas no 106339-97-3 (3-(4-ethenylphenyl)-1,2,5-thiadiazole)
106339-97-3 structure
Product Name:3-(4-ethenylphenyl)-1,2,5-thiadiazole
CAS No:106339-97-3
MF:C10H8N2S
MW:188.248920440674
CID:1182285
PubChem ID:13248943
Update Time:2025-04-20
3-(4-ethenylphenyl)-1,2,5-thiadiazole Chemical and Physical Properties
Names and Identifiers
-
- 3-(4-ethenylphenyl)-1,2,5-thiadiazole
- 106339-97-3
- DTXSID50531910
-
- Inchi： 1S/C10H8N2S/c1-2-8-3-5-9(6-4-8)10-7-11-13-12-10/h2-7H,1H2
- InChI Key： UKKLZOKPQCCPLE-UHFFFAOYSA-N
- SMILES： S1N=CC(C2C=CC(C=C)=CC=2)=N1
Computed Properties
- Exact Mass: 188.04094
- Monoisotopic Mass: 188.04081944g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 176
- 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: 2.8
- Topological Polar Surface Area: 54?2
Experimental Properties
- PSA: 25.78
- LogP: 2.84810
3-(4-ethenylphenyl)-1,2,5-thiadiazole Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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