Cas no 93756-05-9 (Thiazole, 2-(isocyanomethyl)-)
Thiazole, 2-(isocyanomethyl)- structure
Product Name:Thiazole, 2-(isocyanomethyl)-
CAS No:93756-05-9
MF:C5H4N2S
MW:124.163659095764
CID:1980803
PubChem ID:83478664
Update Time:2025-04-21
Thiazole, 2-(isocyanomethyl)- Chemical and Physical Properties
Names and Identifiers
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- Thiazole, 2-(isocyanomethyl)-
- 93756-05-9
-
- Inchi： 1S/C5H4N2S/c1-6-4-5-7-2-3-8-5/h2-3H,4H2
- InChI Key： VANUMUJNIGMWQR-UHFFFAOYSA-N
- SMILES： S1C=CN=C1C[N+]#[C-]
Computed Properties
- Exact Mass: 124.00951931Da
- Monoisotopic Mass: 124.00951931Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 115
- 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: 0.6
- Topological Polar Surface Area: 45.5?2
Thiazole, 2-(isocyanomethyl)- Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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