Cas no 30709-72-9 (5-Thiazolecarboxylicacid, 2-hexyl-)
30709-72-9 structure
Product Name:5-Thiazolecarboxylicacid, 2-hexyl-
CAS No:30709-72-9
MF:C10H15NO2S
MW:213.29660153389
CID:317797
PubChem ID:21415072
Update Time:2025-04-19
5-Thiazolecarboxylicacid, 2-hexyl- Chemical and Physical Properties
Names and Identifiers
-
- 5-Thiazolecarboxylicacid, 2-hexyl-
- 2-hexyl-1,3-thiazole-5-carboxylic acid
- 2-(n-Hexyl)-5-thiazolecarboxylicacid
- 2-Hexyl-5-thiazolecarboxylic acid
- RU 22159
- DTXSID30613440
- 30709-72-9
- SCHEMBL10441573
-
- Inchi: 1S/C10H15NO2S/c1-2-3-4-5-6-9-11-7-8(14-9)10(12)13/h7H,2-6H2,1H3,(H,12,13)
- InChI Key: CSBYBAUWNDBZMC-UHFFFAOYSA-N
- SMILES: S1C(C(=O)O)=CN=C1CCCCCC
Computed Properties
- Exact Mass: 213.08245
- Monoisotopic Mass: 213.08234989g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 187
- 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: 3.6
- Topological Polar Surface Area: 78.4?2
Experimental Properties
- PSA: 50.19
5-Thiazolecarboxylicacid, 2-hexyl- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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