Cas no 54845-33-9 (2,5-bis(2-methylpropyl)thiophene)
54845-33-9 structure
Product Name:2,5-bis(2-methylpropyl)thiophene
CAS No:54845-33-9
MF:C12H20S
MW:196.352202415466
CID:1006194
PubChem ID:592714
Update Time:2025-04-20
2,5-bis(2-methylpropyl)thiophene Chemical and Physical Properties
Names and Identifiers
-
- 2,5-bis(2-methylpropyl)thiophene
- 2,5-Bisisobutylthiophene
- 54845-33-9
- 2,5-Diisobutylthiophene #
- SCHEMBL10024837
- 2,5-di-(2-methylpropyl)-thiophene
- Thiophene, 2,5-bis(2-methylpropyl)-
- DB-313130
- DUKLFSDDEVHMJB-UHFFFAOYSA-N
-
- Inchi： 1S/C12H20S/c1-9(2)7-11-5-6-12(13-11)8-10(3)4/h5-6,9-10H,7-8H2,1-4H3
- InChI Key： DUKLFSDDEVHMJB-UHFFFAOYSA-N
- SMILES： S1C(=CC=C1CC(C)C)CC(C)C
Computed Properties
- Exact Mass: 196.12857181g/mol
- Monoisotopic Mass: 196.12857181g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 124
- 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: 4.9
- Topological Polar Surface Area: 28.2?2
2,5-bis(2-methylpropyl)thiophene Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
54845-33-9 (2,5-bis(2-methylpropyl)thiophene) Related Products
- 18794-77-9(2-Hexylthiophene)
- 1455-20-5(2-Butylthiophene)
- 111510-96-4(2-BUTYL-5-METHYLTHIOPHENE)
- 4861-61-4(2-Dodecylthiophene)
- 54411-06-2(2-n-Butyl-5-ethylthiophene)
- 32741-05-2(2-Isobutylthiophene)
- 880-36-4(2-N-Octylthiophene)
- 18794-78-0(Thiophene, 2-heptyl-)
- 4861-58-9(2-Pentylthiophene)
- 1551-27-5(2-Propylthiophene)
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