Cas no 5694-84-8 (3-(1,3-thiazol-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid)
![3-(1,3-thiazol-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid structure](https://ossimg.kuujia.com/scimg/6000/5694-84-8x500.png)
5694-84-8 structure
Product Name:3-(1,3-thiazol-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CAS No:5694-84-8
MF:C11H10N2O4S
MW:266.273101329803
CID:1600349
PubChem ID:5342191
Update Time:2025-04-21
3-(1,3-thiazol-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-(1,3-thiazol-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
- 7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[(2-thiazolylamino)carbonyl]-
- 2-(1,3-thiazol-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid
- CBMicro_028532
- AKOS003250447
- ST50913564
- Oprea1_464885
- SR-01000525013-1
- STK430338
- AKOS022167844
- BIM-0028603.P001
- 5694-84-8
- DTXSID70417060
- SR-01000525013
- Cambridge id 5694848
-
- Inchi： 1S/C11H10N2O4S/c14-9(13-11-12-3-4-18-11)7-5-1-2-6(17-5)8(7)10(15)16/h1-8H,(H,15,16)(H,12,13,14)
- InChI Key： LOOXMJGTOKUUCL-UHFFFAOYSA-N
- SMILES： S1C=CN=C1NC(C1C2C=CC(C1C(=O)O)O2)=O
Computed Properties
- Exact Mass: 266.0362
- Monoisotopic Mass: 266.036
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 414
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 117A^2
- XLogP3: -0.1
Experimental Properties
- Density: 1.632
- Refractive Index: 1.703
- PSA: 88.52
3-(1,3-thiazol-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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