Cas no 168985-50-0 (3-Thiopheneethanol, acetate)
3-Thiopheneethanol, acetate structure
Product Name:3-Thiopheneethanol, acetate
CAS No:168985-50-0
MF:C8H12O3S
MW:188.244081497192
CID:1350199
PubChem ID:71353647
Update Time:2025-04-20
3-Thiopheneethanol, acetate Chemical and Physical Properties
Names and Identifiers
-
- 3-Thiopheneethanol, acetate
- acetic acid,2-thiophen-3-ylethanol
- DTXSID80778371
- Acetic acid--2-(thiophen-3-yl)ethan-1-ol (1/1)
- 168985-50-0
-
- Inchi： 1S/C6H8OS.C2H4O2/c7-3-1-6-2-4-8-5-6;1-2(3)4/h2,4-5,7H,1,3H2;1H3,(H,3,4)
- InChI Key： HVXBFXZWNBEKNC-UHFFFAOYSA-N
- SMILES： S1C=CC(=C1)CCO.OC(C)=O
Computed Properties
- Exact Mass: 188.05076
- Monoisotopic Mass: 188.05071541g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 96.6
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 85.8?2
Experimental Properties
- PSA: 57.53
3-Thiopheneethanol, acetate Related Literature
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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