Cas no 51536-25-5 (3-Thiopheneacetic acid,a-cyclohexyl-, ethyl ester)
51536-25-5 structure
Product Name:3-Thiopheneacetic acid,a-cyclohexyl-, ethyl ester
CAS No:51536-25-5
MF:C14H20O2S
MW:252.372403144836
CID:377634
PubChem ID:103489
Update Time:2025-04-19
3-Thiopheneacetic acid,a-cyclohexyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-Thiopheneacetic acid,a-cyclohexyl-, ethyl ester
- ethyl 2-cyclohexyl-2-thiophen-3-ylacetate
- ethyl cyclohexyl-3-thienylacetate
- ethyl cyclohexyl(thiophen-3-yl)acetate
- 51536-25-5
- DTXSID70965859
- SCHEMBL11366829
- EINECS 257-258-4
- NS00057090
-
- Inchi： 1S/C14H20O2S/c1-2-16-14(15)13(12-8-9-17-10-12)11-6-4-3-5-7-11/h8-11,13H,2-7H2,1H3
- InChI Key： HPSGRCMLHWDBKJ-UHFFFAOYSA-N
- SMILES： S1C=CC(=C1)C(C(=O)OCC)C1CCCCC1
Computed Properties
- Exact Mass: 252.1185
- Monoisotopic Mass: 252.118
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 249
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 4.5
- Topological Polar Surface Area: 54.5?2
Experimental Properties
- Density: 1.106
- Boiling Point: 343.4°Cat760mmHg
- Flash Point: 161.5°C
- Refractive Index: 1.534
- PSA: 26.3
3-Thiopheneacetic acid,a-cyclohexyl-, ethyl ester Related Literature
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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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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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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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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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