Cas no 66577-03-5 (Thiophene, 3-ethyl-4-methyl-)
Thiophene, 3-ethyl-4-methyl- structure
Product Name:Thiophene, 3-ethyl-4-methyl-
Thiophene, 3-ethyl-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Thiophene, 3-ethyl-4-methyl-
- 3-ethyl-4-methylthiophene
- 66577-03-5
- QMHNYDJBWOPGHE-UHFFFAOYSA-N
- 3-methyl-4-ethylthiophene
- DTXSID90334886
- SCHEMBL6805109
-
- Inchi： 1S/C7H10S/c1-3-7-5-8-4-6(7)2/h4-5H,3H2,1-2H3
- InChI Key： QMHNYDJBWOPGHE-UHFFFAOYSA-N
- SMILES： S1C=C(C)C(=C1)CC
Computed Properties
- Exact Mass: 126.0504
- Monoisotopic Mass: 126.05032149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 70.8
- 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: 2.8
- Topological Polar Surface Area: 28.2?2
Experimental Properties
- PSA: 0
Thiophene, 3-ethyl-4-methyl- Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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2. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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