Cas no 4861-62-5 (2-Butyl-5-propylthiophene)
2-Butyl-5-propylthiophene structure
Product Name:2-Butyl-5-propylthiophene
CAS No:4861-62-5
MF:C11H18S
MW:182.325622081757
CID:2667044
PubChem ID:587446
Update Time:2025-04-21
2-Butyl-5-propylthiophene Chemical and Physical Properties
Names and Identifiers
-
- 2-Butyl-5-propylthiophene
- 2-Butyl-5-propylthiophene #
- DTXSID901312508
- Thiophene, 2-butyl-5-propyl-
- SCHEMBL18626758
- PHDIECZGRATECW-UHFFFAOYSA-N
- 4861-62-5
-
- Inchi: 1S/C11H18S/c1-3-5-7-11-9-8-10(12-11)6-4-2/h8-9H,3-7H2,1-2H3
- InChI Key: PHDIECZGRATECW-UHFFFAOYSA-N
- SMILES: S1C(=CC=C1CCCC)CCC
Computed Properties
- Exact Mass: 182.11292175Da
- Monoisotopic Mass: 182.11292175Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 112
- 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: 4.5
- Topological Polar Surface Area: 28.2?2
2-Butyl-5-propylthiophene Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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