Cas no 56053-84-0 (2-Thiophenecarboxylicacid, butyl ester)
56053-84-0 structure
Product Name:2-Thiophenecarboxylicacid, butyl ester
CAS No:56053-84-0
MF:C9H12O2S
MW:184.255381584167
CID:376918
PubChem ID:91997
Update Time:2025-04-19
2-Thiophenecarboxylicacid, butyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxylicacid, butyl ester
- butyl 2-thenoate
- butyl thiophene-2-carboxylate
- 2-Thiophenecarboxylic acid, butyl ester
- SCHEMBL9499276
- DTXSID00204607
- Butyl 2-thiophenecarboxylate #
- Thiophene-2-carboxylic acid butyl ester
- 56053-84-0
- NS00054568
- VUSZPSYSKPXZQL-UHFFFAOYSA-N
- EINECS 259-970-0
-
- Inchi: 1S/C9H12O2S/c1-2-3-6-11-9(10)8-5-4-7-12-8/h4-5,7H,2-3,6H2,1H3
- InChI Key: VUSZPSYSKPXZQL-UHFFFAOYSA-N
- SMILES: S1C=CC=C1C(=O)OCCCC
Computed Properties
- Exact Mass: 184.05586
- Monoisotopic Mass: 184.05580079g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 148
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 54.5?2
Experimental Properties
- Density: 1.2008 (rough estimate)
- Boiling Point: 288.22°C (rough estimate)
- Refractive Index: 1.5480 (estimate)
- PSA: 26.3
2-Thiophenecarboxylicacid, butyl ester Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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