Cas no 113705-26-3 (Thiazole,2,4-diethynyl-)
Thiazole,2,4-diethynyl- structure
Product Name:Thiazole,2,4-diethynyl-
CAS No:113705-26-3
MF:C7H3NS
MW:133.170419931412
CID:106090
Update Time:2024-01-24
Thiazole,2,4-diethynyl- Chemical and Physical Properties
Names and Identifiers
-
- Thiazole,2,4-diethynyl-
- 2,4-Diethynyl-1,3-thiazole
- Thiazole, 2,4-diethynyl- (9CI)
- Thiazole, 2,4-diethynyl-
-
- Inchi： 1S/C7H3NS/c1-3-6-5-9-7(4-2)8-6/h1-2,5H
- InChI Key： QUHRDTLAUPQJHS-UHFFFAOYSA-N
- SMILES： S1C=C(C#C)N=C1C#C
Computed Properties
- Exact Mass: 132.99869
- Monoisotopic Mass: 132.999
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 192
- 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
- Topological Polar Surface Area: 41.1A^2
Experimental Properties
- Density: 1.23±0.1 g/cm3(Predicted)
- Boiling Point: 238.2±32.0 °C(Predicted)
- PSA: 12.89
- pka: -0.86±0.10(Predicted)
Thiazole,2,4-diethynyl- Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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