Cas no 82185-55-5 (Propanoic acid,2-methyl-2-[(phenylamino)sulfinyl]-, ethyl ester)
![Propanoic acid,2-methyl-2-[(phenylamino)sulfinyl]-, ethyl ester structure](https://ossimg.kuujia.com/scimg/82500/82185-55-5x500.png)
82185-55-5 structure
Product Name:Propanoic acid,2-methyl-2-[(phenylamino)sulfinyl]-, ethyl ester
CAS No:82185-55-5
MF:C12H17NO3S
MW:255.333282232285
CID:729504
PubChem ID:339844
Update Time:2025-04-19
Propanoic acid,2-methyl-2-[(phenylamino)sulfinyl]-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,2-methyl-2-[(phenylamino)sulfinyl]-, ethyl ester
- ethyl 2-methyl-2-phenylsulfinamoylpropanoate
- NSC367966
- 82185-55-5
- NSC-367966
- DTXSID90321019
-
- Inchi： 1S/C12H17NO3S/c1-4-16-11(14)12(2,3)17(15)13-10-8-6-5-7-9-10/h5-9,13H,4H2,1-3H3
- InChI Key： YVXVGTUFCULDAS-UHFFFAOYSA-N
- SMILES： S(C(C(=O)OCC)(C)C)(NC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 255.092914
- Monoisotopic Mass: 255.092914
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 286
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 74.6
- XLogP3: 2.9
Experimental Properties
- Density: 1.248
- Boiling Point: 380.7°C at 760 mmHg
- Flash Point: 184°C
- Refractive Index: 1.596
Propanoic acid,2-methyl-2-[(phenylamino)sulfinyl]-, ethyl ester Related Literature
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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