Cas no 89499-39-8 (2-Thiophenecarboxylic acid, 4-amino-5-ethyl-)
89499-39-8 structure
Product Name:2-Thiophenecarboxylic acid, 4-amino-5-ethyl-
CAS No:89499-39-8
MF:C7H9NO2S
MW:171.216860532761
CID:598737
PubChem ID:13205572
Update Time:2025-04-19
2-Thiophenecarboxylic acid, 4-amino-5-ethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxylic acid, 4-amino-5-ethyl-
- 4-amino-5-ethylthiophene-2-carboxylic acid
- DTXSID30527614
- 89499-39-8
-
- Inchi： 1S/C7H9NO2S/c1-2-5-4(8)3-6(11-5)7(9)10/h3H,2,8H2,1H3,(H,9,10)
- InChI Key： VKESXKVLBPEEMT-UHFFFAOYSA-N
- SMILES： S1C(C(=O)O)=CC(=C1CC)N
Computed Properties
- Exact Mass: 171.03539970g/mol
- Monoisotopic Mass: 171.03539970g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 163
- 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: 1.6
- Topological Polar Surface Area: 91.6?2
2-Thiophenecarboxylic acid, 4-amino-5-ethyl- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Jason Wan Lab Chip, 2020,20, 4528-4538
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