Cas no 648412-52-6 (2-Thiophenecarboxylic acid, 4-amino-5-cyano-, ethyl ester)
648412-52-6 structure
Product Name:2-Thiophenecarboxylic acid, 4-amino-5-cyano-, ethyl ester
CAS No:648412-52-6
MF:C8H8N2O2S
MW:196.226320266724
CID:415401
PubChem ID:45089369
Update Time:2025-04-19
2-Thiophenecarboxylic acid, 4-amino-5-cyano-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxylic acid, 4-amino-5-cyano-, ethyl ester
- 2-Thiophenecarboxylicacid,4-amino-5-cyano-,ethylester(9CI)
- ethyl 4-amino-5-cyanothiophene-2-carboxylate
- Ethyl 4-amino-5-cyano-thiophene-2-carboxylate
- DTXSID90666457
- 648412-52-6
- SCHEMBL3885696
-
- Inchi： 1S/C8H8N2O2S/c1-2-12-8(11)6-3-5(10)7(4-9)13-6/h3H,2,10H2,1H3
- InChI Key： IMHABOWBQYBHPV-UHFFFAOYSA-N
- SMILES： S1C(C#N)=C(C=C1C(=O)OCC)N
Computed Properties
- Exact Mass: 196.03100
- Monoisotopic Mass: 196.03064868g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 248
- 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: 2.1
- Topological Polar Surface Area: 104?2
Experimental Properties
- PSA: 104.35000
- LogP: 1.95988
2-Thiophenecarboxylic acid, 4-amino-5-cyano-, ethyl ester Related Literature
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
648412-52-6 (2-Thiophenecarboxylic acid, 4-amino-5-cyano-, ethyl ester) Related Products
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
- 2034271-14-0(2-(1H-indol-3-yl)-N-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide)
Recommended suppliers
Essenoi Fine Chemical Co., Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
HANGZHOU BAIS CHEMICAL TECHNOLOGY CO., LTD.
Gold Member
Audited Supplier
CN Supplier
Reagent
Suzhou Genelee Bio-Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
TAIXING JOXIN BIO-TEC CO.,LTD.
Gold Member
Audited Supplier
CN Supplier
Bulk
