Cas no 80036-86-8 (Benzenamine,2-(ethylsulfonyl)-5-methoxy-)
80036-86-8 structure
Product Name:Benzenamine,2-(ethylsulfonyl)-5-methoxy-
CAS No:80036-86-8
MF:C9H13NO3S
MW:215.269421339035
CID:722678
PubChem ID:3018904
Update Time:2025-04-19
Benzenamine,2-(ethylsulfonyl)-5-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine,2-(ethylsulfonyl)-5-methoxy-
- 2-ethylsulfonyl-5-methoxyaniline
- 2-ethylsulphonyl-5-methoxyaniline
- 2-(ethylsulfonyl)-5-methoxyaniline
- 2-(ethanesulfonyl)-5-methoxyaniline
- 80036-86-8
- NS00000713
- AKOS020886384
- EINECS 279-376-5
- DTXSID601000924
-
- Inchi： 1S/C9H13NO3S/c1-3-14(11,12)9-5-4-7(13-2)6-8(9)10/h4-6H,3,10H2,1-2H3
- InChI Key： USJIZJHMBXUTBR-UHFFFAOYSA-N
- SMILES： S(CC)(C1C=CC(=CC=1N)OC)(=O)=O
Computed Properties
- Exact Mass: 215.061614
- Monoisotopic Mass: 215.061614
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 270
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 77.8
Experimental Properties
- Density: 1.237
- Boiling Point: 419.7°C at 760 mmHg
- Flash Point: 207.6°C
- Refractive Index: 1.542
Benzenamine,2-(ethylsulfonyl)-5-methoxy- Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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