Cas no 89001-59-2 (Benzoic acid, 5-[(dimethylamino)sulfonyl]-2-methyl-, ethyl ester)
![Benzoic acid, 5-[(dimethylamino)sulfonyl]-2-methyl-, ethyl ester structure](https://ossimg.kuujia.com/scimg/89500/89001-59-2x500.png)
89001-59-2 structure
Product Name:Benzoic acid, 5-[(dimethylamino)sulfonyl]-2-methyl-, ethyl ester
CAS No:89001-59-2
MF:C12H17NO4S
MW:271.33268237114
CID:616632
PubChem ID:70538181
Update Time:2025-04-19
Benzoic acid, 5-[(dimethylamino)sulfonyl]-2-methyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 5-[(dimethylamino)sulfonyl]-2-methyl-, ethyl ester
- ethyl 5-(dimethylsulfamoyl)-2-methylbenzoate
- 89001-59-2
- DTXSID60742358
- SCHEMBL11207881
-
- Inchi： 1S/C12H17NO4S/c1-5-17-12(14)11-8-10(7-6-9(11)2)18(15,16)13(3)4/h6-8H,5H2,1-4H3
- InChI Key： IXVGTRYVVLQBKJ-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=C(C(=O)OCC)C=1)(N(C)C)(=O)=O
Computed Properties
- Exact Mass: 271.08782920g/mol
- Monoisotopic Mass: 271.08782920g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 385
- 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: 1.7
- Topological Polar Surface Area: 72.1?2
Benzoic acid, 5-[(dimethylamino)sulfonyl]-2-methyl-, ethyl ester Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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