Cas no 94135-73-6 (2-Thiopheneethanol,2-acetate)
2-Thiopheneethanol,2-acetate structure
Product Name:2-Thiopheneethanol,2-acetate
CAS No:94135-73-6
MF:C8H10O2S
MW:170.228801250458
CID:809093
PubChem ID:19046788
Update Time:2025-04-19
2-Thiopheneethanol,2-acetate Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiopheneethanol,2-acetate
- 2-thienylethyl acetate
- 2-thiophen-2-ylethyl acetate
- 94135-73-6
- DNAUTCUGZWKQBZ-UHFFFAOYSA-N
- EINECS 302-944-1
- 2-(thiophen-2-yl)ethyl acetate
- 2-(2-thienyl)ethyl acetate
- 2-THIOPHENEETHANOL, 2-ACETATE
- DTXSID20240769
- XA4K9M6T6V
- ACETIC ACID-(2-(2)THIENYL-ETHYL ESTER)
- NS00066102
- UNII-XA4K9M6T6V
- SCHEMBL3070804
-
- Inchi： 1S/C8H10O2S/c1-7(9)10-5-4-8-3-2-6-11-8/h2-3,6H,4-5H2,1H3
- InChI Key： DNAUTCUGZWKQBZ-UHFFFAOYSA-N
- SMILES： S1C=CC=C1CCOC(C)=O
Computed Properties
- Exact Mass: 170.04015
- Monoisotopic Mass: 170.04015
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 147
- 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
- Topological Polar Surface Area: 54.5
- XLogP3: 1.8
Experimental Properties
- Density: 1.142
- Boiling Point: 218.3°Cat760mmHg
- Flash Point: 85.8°C
- Refractive Index: 1.519
2-Thiopheneethanol,2-acetate Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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