Cas no 828252-44-4 ((2-ethylsulfanyl-4-chloro-pyrimidin-5-yl)-acetic acid ethyl ester)
828252-44-4 structure
Product Name:(2-ethylsulfanyl-4-chloro-pyrimidin-5-yl)-acetic acid ethyl ester
CAS No:828252-44-4
MF:C10H13ClN2O2S
MW:260.740420103073
CID:2359453
PubChem ID:58589709
Update Time:2025-04-21
(2-ethylsulfanyl-4-chloro-pyrimidin-5-yl)-acetic acid ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- (2-ethylsulfanyl-4-chloro-pyrimidin-5-yl)-acetic acid ethyl ester
- 828252-44-4
- DB-200114
- SCHEMBL5740366
-
- Inchi: 1S/C10H13ClN2O2S/c1-3-15-8(14)5-7-6-12-10(16-4-2)13-9(7)11/h6H,3-5H2,1-2H3
- InChI Key: LZAGPOGJDNGORO-UHFFFAOYSA-N
- SMILES: ClC1C(=CN=C(N=1)SCC)CC(=O)OCC
Computed Properties
- Exact Mass: 260.0386265Da
- Monoisotopic Mass: 260.0386265Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 231
- 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: 2.5
- Topological Polar Surface Area: 77.4?2
(2-ethylsulfanyl-4-chloro-pyrimidin-5-yl)-acetic acid ethyl ester Related Literature
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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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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
828252-44-4 ((2-ethylsulfanyl-4-chloro-pyrimidin-5-yl)-acetic acid ethyl ester) Related Products
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