Cas no 666721-42-2 (2-Thiophenecarboxylic acid, 4-(4-aminophenyl)-, methyl ester)
666721-42-2 structure
Product Name:2-Thiophenecarboxylic acid, 4-(4-aminophenyl)-, methyl ester
CAS No:666721-42-2
MF:C12H11NO2S
MW:233.286241769791
CID:395993
PubChem ID:60082951
Update Time:2025-04-19
2-Thiophenecarboxylic acid, 4-(4-aminophenyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxylic acid, 4-(4-aminophenyl)-, methyl ester
- methyl 4-(4-aminophenyl)thiophene-2-carboxylate
- DTXSID80733602
- 666721-42-2
- SCHEMBL6369543
-
- Inchi： 1S/C12H11NO2S/c1-15-12(14)11-6-9(7-16-11)8-2-4-10(13)5-3-8/h2-7H,13H2,1H3
- InChI Key： UACIGSPILIWNLX-UHFFFAOYSA-N
- SMILES： S1C=C(C=C1C(=O)OC)C1C=CC(=CC=1)N
Computed Properties
- Exact Mass: 233.05113
- Monoisotopic Mass: 233.05104977g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 251
- 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: 2.7
- Topological Polar Surface Area: 80.6?2
Experimental Properties
- PSA: 52.32
2-Thiophenecarboxylic acid, 4-(4-aminophenyl)-, methyl ester Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
666721-42-2 (2-Thiophenecarboxylic acid, 4-(4-aminophenyl)-, methyl ester) Related Products
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