Cas no 61324-85-4 (2-Thiophenecarboxylic acid, 3-[(2-nitrophenyl)amino]-, methyl ester)
![2-Thiophenecarboxylic acid, 3-[(2-nitrophenyl)amino]-, methyl ester structure](https://ossimg.kuujia.com/scimg/61500/61324-85-4x500.png)
61324-85-4 structure
Product Name:2-Thiophenecarboxylic acid, 3-[(2-nitrophenyl)amino]-, methyl ester
CAS No:61324-85-4
MF:C12H10N2O4S
MW:278.283801555634
CID:483951
PubChem ID:20387689
Update Time:2025-04-19
2-Thiophenecarboxylic acid, 3-[(2-nitrophenyl)amino]-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxylic acid, 3-[(2-nitrophenyl)amino]-, methyl ester
- methyl 3-(2-nitroanilino)thiophene-2-carboxylate
- 61324-85-4
- Methyl 3-(2-nitroanilino)-thiophene-2-carboxylate
- SCHEMBL11529437
- PPWRXLGDTJUVTO-UHFFFAOYSA-N
- DTXSID00606561
-
- Inchi： 1S/C12H10N2O4S/c1-18-12(15)11-9(6-7-19-11)13-8-4-2-3-5-10(8)14(16)17/h2-7,13H,1H3
- InChI Key： PPWRXLGDTJUVTO-UHFFFAOYSA-N
- SMILES： S1C=CC(=C1C(=O)OC)NC1C=CC=CC=1[N+](=O)[O-]
Computed Properties
- Exact Mass: 278.0362
- Monoisotopic Mass: 278.03612798g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 347
- 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: 3.7
- Topological Polar Surface Area: 112?2
Experimental Properties
- PSA: 81.47
2-Thiophenecarboxylic acid, 3-[(2-nitrophenyl)amino]-, methyl ester Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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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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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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