Cas no 106429-20-3 (4-Benzothiazolecarboxylicacid, 2-amino-6-methyl-, methyl ester)
106429-20-3 structure
Product Name:4-Benzothiazolecarboxylicacid, 2-amino-6-methyl-, methyl ester
CAS No:106429-20-3
MF:C10H10N2O2S
MW:222.263600826263
CID:127127
PubChem ID:19894946
Update Time:2025-04-18
4-Benzothiazolecarboxylicacid, 2-amino-6-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-Benzothiazolecarboxylicacid, 2-amino-6-methyl-, methyl ester
- 4-Benzothiazolecarboxylicacid,2-amino-6-methyl-,methylester(9CI)
- methyl 2-amino-6-methyl-1,3-benzothiazole-4-carboxylate
- RTZHEQRECNAMDJ-UHFFFAOYSA-N
- SCHEMBL9619834
- 106429-20-3
- 4-benzothiazolecarboxylic acid,2-amino-6-methyl-,methyl ester
- Methyl 2-amino-6-methylbenzothiazole-4-carboxylate
-
- Inchi： 1S/C10H10N2O2S/c1-5-3-6(9(13)14-2)8-7(4-5)15-10(11)12-8/h3-4H,1-2H3,(H2,11,12)
- InChI Key： RTZHEQRECNAMDJ-UHFFFAOYSA-N
- SMILES： S1C(N)=NC2C(C(=O)OC)=CC(C)=CC1=2
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
4-Benzothiazolecarboxylicacid, 2-amino-6-methyl-, methyl ester Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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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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