Cas no 780018-87-3 (2-Thiophenecarboxylicacid, 3-amino-4-methyl-, propyl ester)
780018-87-3 structure
Product Name:2-Thiophenecarboxylicacid, 3-amino-4-methyl-, propyl ester
CAS No:780018-87-3
MF:C9H13NO2S
MW:199.27002120018
CID:553582
PubChem ID:45089481
Update Time:2025-04-19
2-Thiophenecarboxylicacid, 3-amino-4-methyl-, propyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxylicacid, 3-amino-4-methyl-, propyl ester
- 2-Thiophenecarboxylicacid,3-amino-4-methyl-,propylester(9CI)
- propyl 3-amino-4-methylthiophene-2-carboxylate
- AKOS017529615
- SCHEMBL7028009
- 780018-87-3
- 2-thiophenecarboxylic acid,3-amino-4-methyl-,propyl ester
-
- Inchi： 1S/C9H13NO2S/c1-3-4-12-9(11)8-7(10)6(2)5-13-8/h5H,3-4,10H2,1-2H3
- InChI Key： YVFNRRLFBXSKKL-UHFFFAOYSA-N
- SMILES： S1C=C(C)C(=C1C(=O)OCCC)N
Computed Properties
- Exact Mass: 199.067
- Monoisotopic Mass: 199.067
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 187
- 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
- Topological Polar Surface Area: 80.6A^2
- XLogP3: 2.9
2-Thiophenecarboxylicacid, 3-amino-4-methyl-, propyl ester Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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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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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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