Cas no 306276-71-1 (5-Benzothiazolecarboxylicacid, 2-amino-4-methyl-, methyl ester)
306276-71-1 structure
Product Name:5-Benzothiazolecarboxylicacid, 2-amino-4-methyl-, methyl ester
CAS No:306276-71-1
MF:C10H10N2O2S
MW:222.263600826263
CID:300011
PubChem ID:22390084
Update Time:2025-04-19
5-Benzothiazolecarboxylicacid, 2-amino-4-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-Benzothiazolecarboxylicacid, 2-amino-4-methyl-, methyl ester
- Methyl2-amino-4-methylbenzothiazole-5-carboxylate
- methyl 2-amino-4-methyl-1,3-benzothiazole-5-carboxylate
- 5-benzothiazolecarboxylic acid,2-amino-4-methyl-,methyl ester
- methyl 2-amino-4-methyl-benzothiazole-5-carboxylate
- 306276-71-1
- QJJHOBKGYBPBBX-UHFFFAOYSA-N
- methyl 2-amino-4-methylbenzothiazole-5-carboxylate
- methyl 2-amino-4-methylbenzo[d]thiazole-5-carboxylate
- SCHEMBL6477475
-
- Inchi： 1S/C10H10N2O2S/c1-5-6(9(13)14-2)3-4-7-8(5)12-10(11)15-7/h3-4H,1-2H3,(H2,11,12)
- InChI Key： QJJHOBKGYBPBBX-UHFFFAOYSA-N
- SMILES： S1C(N)=NC2=C1C=CC(C(=O)OC)=C2C
Computed Properties
- Exact Mass: 222.04629874g/mol
- Monoisotopic Mass: 222.04629874g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 262
- 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: 2.2
- Topological Polar Surface Area: 93.4?2
5-Benzothiazolecarboxylicacid, 2-amino-4-methyl-, methyl ester Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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