Cas no 99979-94-9 (2-Thiazolecarboxamide,5-methyl-)
99979-94-9 structure
Product Name:2-Thiazolecarboxamide,5-methyl-
CAS No:99979-94-9
MF:C5H6N2OS
MW:142.178939342499
CID:797461
Update Time:2024-02-01
2-Thiazolecarboxamide,5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiazolecarboxamide,5-methyl-
- 2-Thiazolecarboxamide,5-methyl-(6CI)
- 5-methyl-thiazole-2-carboxylic acid amide
- 2-Thiazolecarboxamide, 5-methyl-
- 5-Methyl-2-thiazolecarboxamide
-
- Inchi： 1S/C5H6N2OS/c1-3-2-7-5(9-3)4(6)8/h2H,1H3,(H2,6,8)
- InChI Key： WDAJTSIOZWNSIZ-UHFFFAOYSA-N
- SMILES： S1C(C)=CN=C1C(N)=O
Computed Properties
- Exact Mass: 142.02
- Monoisotopic Mass: 142.02
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 128
- 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: 84.2A^2
Experimental Properties
- Density: 1.327±0.06 g/cm3(Predicted)
- Boiling Point: 295.7±33.0 °C(Predicted)
- pka: 15.13±0.50(Predicted)
2-Thiazolecarboxamide,5-methyl- Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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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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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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