Cas no 6706-13-4 (1H-Thieno[3,4-d]imidazole-4-octanoic acid, hexahydro-2-oxo-)
6706-13-4 structure
Product Name:1H-Thieno[3,4-d]imidazole-4-octanoic acid, hexahydro-2-oxo-
CAS No:6706-13-4
MF:C13H22N2O3S
MW:286.390382289886
CID:395416
PubChem ID:71374925
Update Time:2025-04-19
1H-Thieno[3,4-d]imidazole-4-octanoic acid, hexahydro-2-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Thieno[3,4-d]imidazole-4-octanoic acid, hexahydro-2-oxo-
- 8-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)octanoic acid
- 8-(2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)octanoic acid
- 6706-13-4
- DTXSID80797683
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- Inchi: 1S/C13H22N2O3S/c16-11(17)7-5-3-1-2-4-6-10-12-9(8-19-10)14-13(18)15-12/h9-10,12H,1-8H2,(H,16,17)(H2,14,15,18)
- InChI Key: YMZOIKAUIJYLSR-UHFFFAOYSA-N
- SMILES: S1CC2C(C1CCCCCCCC(=O)O)NC(N2)=O
Computed Properties
- Exact Mass: 286.13526
- Monoisotopic Mass: 286.13511374g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 8
- Complexity: 338
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 104?2
Experimental Properties
- PSA: 78.43
1H-Thieno[3,4-d]imidazole-4-octanoic acid, hexahydro-2-oxo- 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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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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