Cas no 89499-40-1 (2-Thiophenecarboxylic acid, 4-amino-5-propyl-)
89499-40-1 structure
Product Name:2-Thiophenecarboxylic acid, 4-amino-5-propyl-
CAS No:89499-40-1
MF:C8H11NO2S
MW:185.24344086647
CID:598736
PubChem ID:13205574
Update Time:2025-04-19
2-Thiophenecarboxylic acid, 4-amino-5-propyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxylic acid, 4-amino-5-propyl-
- 4-amino-5-propylthiophene-2-carboxylic acid
- DTXSID90527615
- 89499-40-1
-
- Inchi： 1S/C8H11NO2S/c1-2-3-6-5(9)4-7(12-6)8(10)11/h4H,2-3,9H2,1H3,(H,10,11)
- InChI Key： RLJQFHWGZQPXSQ-UHFFFAOYSA-N
- SMILES： S1C(C(=O)O)=CC(=C1CCC)N
Computed Properties
- Exact Mass: 185.05104977g/mol
- Monoisotopic Mass: 185.05104977g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 174
- 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
- Topological Polar Surface Area: 91.6?2
2-Thiophenecarboxylic acid, 4-amino-5-propyl- Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
89499-40-1 (2-Thiophenecarboxylic acid, 4-amino-5-propyl-) Related Products
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