Cas no 6911-45-1 (Thiophene, 2,5-dibutyl-)
Thiophene, 2,5-dibutyl- structure
Product Name:Thiophene, 2,5-dibutyl-
CAS No:6911-45-1
MF:C12H20S
MW:196.352202415466
CID:521564
Update Time:2024-01-30
Thiophene, 2,5-dibutyl- Chemical and Physical Properties
Names and Identifiers
-
- Thiophene, 2,5-dibutyl-
- 2,5-dibutyl-Thiophene
-
- Inchi： 1S/C12H20S/c1-3-5-7-11-9-10-12(13-11)8-6-4-2/h9-10H,3-8H2,1-2H3
- InChI Key： NHLXPPMDOYFYFF-UHFFFAOYSA-N
- SMILES： C1(CCCC)SC(CCCC)=CC=1
Computed Properties
- Exact Mass: 401.177312
- Monoisotopic Mass: 401.177312
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 28
- Rotatable Bond Count: 7
- Complexity: 519
- 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: 90.1
Experimental Properties
- Density: 1.246
- Boiling Point: 468.5°C at 760 mmHg
- Flash Point: 237.1°C
- Refractive Index: 1.617
Thiophene, 2,5-dibutyl- Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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