Cas no 17694-78-9 ((S)-trans-Tetrahydro-thiophen-2,5-dicarbonsaeure)
17694-78-9 structure
Product Name:(S)-trans-Tetrahydro-thiophen-2,5-dicarbonsaeure
CAS No:17694-78-9
MF:C6H8O4S
MW:176.190320968628
CID:2001422
PubChem ID:821523
Update Time:2025-04-21
(S)-trans-Tetrahydro-thiophen-2,5-dicarbonsaeure Chemical and Physical Properties
Names and Identifiers
-
- (S)-trans-Tetrahydro-thiophen-2,5-dicarbonsaeure
- (S)-trans-tetrahydro-thiophene-2,5-dicarboxylic acid
- trans-Tetrahydrothiophen-2,5-dicarbonsaeure
- (2S,5S)-thiolane-2,5-dicarboxylic acid
- DFA94582
- rac-(2R,5R)-thiolane-2,5-dicarboxylic acid
- DTXSID501031039
- 128945-82-4
- EN300-1695581
- 17694-78-9
- 2,3,4,5-Tetradeoxy-2,5-epithio-D-threo-hexaric acid
-
- Inchi： 1S/C6H8O4S/c7-5(8)3-1-2-4(11-3)6(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)/t3-,4-/m0/s1
- InChI Key： VZKPHLAASBCFGX-IMJSIDKUSA-N
- SMILES： S1[C@H](C(=O)O)CC[C@H]1C(=O)O
Computed Properties
- Exact Mass: 176.01432991Da
- Monoisotopic Mass: 176.01432991Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 171
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.6
- Topological Polar Surface Area: 99.9?2
(S)-trans-Tetrahydro-thiophen-2,5-dicarbonsaeure Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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