Cas no 163460-98-8 (2-Thiophenecarboxaldehyde,3-propyl-)
163460-98-8 structure
Product Name:2-Thiophenecarboxaldehyde,3-propyl-
CAS No:163460-98-8
MF:C8H10OS
MW:154.229401111603
CID:110235
PubChem ID:15209599
Update Time:2025-04-18
2-Thiophenecarboxaldehyde,3-propyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxaldehyde,3-propyl-
- 2-Thiophenecarboxaldehyde, 3-propyl- (9CI)
- 3-Propyl thiophene-2-carboxaldehyde
- 3-propylthiophene-2-carbaldehyde
- 163460-98-8
- SCHEMBL6816923
- LVILUBAIANFMFQ-UHFFFAOYSA-N
-
- Inchi： 1S/C8H10OS/c1-2-3-7-4-5-10-8(7)6-9/h4-6H,2-3H2,1H3
- InChI Key： LVILUBAIANFMFQ-UHFFFAOYSA-N
- SMILES： S1C=CC(=C1C=O)CCC
Computed Properties
- Exact Mass: 154.0453
- Monoisotopic Mass: 154.04523611g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 114
- 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: 2.7
- Topological Polar Surface Area: 45.3?2
Experimental Properties
- PSA: 17.07
2-Thiophenecarboxaldehyde,3-propyl- Related Literature
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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