Cas no 108408-34-0 (2-Thiophenecarboxaldehyde,4-ethynyl-3-methyl-)
108408-34-0 structure
Product Name:2-Thiophenecarboxaldehyde,4-ethynyl-3-methyl-
CAS No:108408-34-0
MF:C8H6OS
MW:150.197640895844
CID:128011
Update Time:2024-01-25
2-Thiophenecarboxaldehyde,4-ethynyl-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxaldehyde,4-ethynyl-3-methyl-
- 2-Thiophenecarboxaldehyde, 4-ethynyl-3-methyl- (9CI)
- 2-Thiophenecarboxaldehyde, 4-ethynyl-3-methyl-
-
- Inchi： 1S/C8H6OS/c1-3-7-5-10-8(4-9)6(7)2/h1,4-5H,2H3
- InChI Key： HUYLBFPDXYCBCH-UHFFFAOYSA-N
- SMILES： C1(C=O)SC=C(C#C)C=1C
Computed Properties
- Exact Mass: 150.01398
- Monoisotopic Mass: 150.014
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 179
- 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
- Topological Polar Surface Area: 45.3A^2
Experimental Properties
- PSA: 17.07
2-Thiophenecarboxaldehyde,4-ethynyl-3-methyl- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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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
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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