Cas no 190375-16-7 (2-Thiophenecarboxylicacid, 3-amino-4-methyl-, 1-methylethyl ester)
190375-16-7 structure
Product Name:2-Thiophenecarboxylicacid, 3-amino-4-methyl-, 1-methylethyl ester
CAS No:190375-16-7
MF:C9H13NO2S
MW:199.27002120018
CID:115789
PubChem ID:45089522
Update Time:2025-04-18
2-Thiophenecarboxylicacid, 3-amino-4-methyl-, 1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxylicacid, 3-amino-4-methyl-, 1-methylethyl ester
- propan-2-yl 3-amino-4-methylthiophene-2-carboxylate
- 2-Thiophenecarboxylicacid,3-amino-4-methyl-,1-methylethylester(9CI)
- AKOS017529704
- 190375-16-7
- Isopropyl 3-amino-4-methylthiophene-2-carboxylate
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- Inchi： 1S/C9H13NO2S/c1-5(2)12-9(11)8-7(10)6(3)4-13-8/h4-5H,10H2,1-3H3
- InChI Key： ZXMQWAFNUZEZIH-UHFFFAOYSA-N
- SMILES： S1C=C(C)C(=C1C(=O)OC(C)C)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: 3
- Complexity: 196
- 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: 2.8
2-Thiophenecarboxylicacid, 3-amino-4-methyl-, 1-methylethyl ester Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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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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