Cas no 1435896-86-8 (2-Ethylhexyl 2-amino-1,3-benzothiazole-6-carboxylate)
1435896-86-8 structure
Product Name:2-Ethylhexyl 2-amino-1,3-benzothiazole-6-carboxylate
CAS No:1435896-86-8
MF:C16H22N2O2S
MW:306.423082828522
CID:2112868
Update Time:2023-08-04
2-Ethylhexyl 2-amino-1,3-benzothiazole-6-carboxylate Chemical and Physical Properties
Names and Identifiers
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- 2-ethylhexyl 2-aminobenzo[d]thiazole-6-carboxylate
- 2-Ethylhexyl 2-amino-1,3-benzothiazole-6-carboxylate
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- Inchi： 1S/C16H22N2O2S/c1-3-5-6-11(4-2)10-20-15(19)12-7-8-13-14(9-12)21-16(17)18-13/h7-9,11H,3-6,10H2,1-2H3,(H2,17,18)
- InChI Key： KTDYDSLSGZKRJF-UHFFFAOYSA-N
- SMILES： S1C(N)=NC2=CC=C(C=C12)C(=O)OCC(CC)CCCC
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 8
- Complexity: 340
- Topological Polar Surface Area: 93.4
2-Ethylhexyl 2-amino-1,3-benzothiazole-6-carboxylate Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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