Cas no 6301-32-2 (Ethyl 6-chloro-2-methylsulfanylpyrimidine-4-carboxylate)
6301-32-2 structure
Product Name:Ethyl 6-chloro-2-methylsulfanylpyrimidine-4-carboxylate
CAS No:6301-32-2
MF:C8H9ClN2O2S
MW:232.687259435654
CID:1644273
PubChem ID:239275
Update Time:2025-04-21
Ethyl 6-chloro-2-methylsulfanylpyrimidine-4-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 6-chloro-2-methylsulfanylpyrimidine-4-carboxylate
- ethyl 6-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate
- NSC44197
- AC1Q3PWC
- AC1L62RU
- CTK5B7061
- AR-1I9517
- NSC-44197
- AG-K-88943
- ethyl 6-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate; NSC44197; AC1Q3PWC; AC1L62RU; CTK5B7061; AR-1I9517; NSC-44197; AG-K-88943;
- 6301-32-2
- SCHEMBL8550932
- DTXSID80286209
- Ethyl 6-chloro-2-(methylthio)pyrimidine-4-carboxylate
-
- Inchi： 1S/C8H9ClN2O2S/c1-3-13-7(12)5-4-6(9)11-8(10-5)14-2/h4H,3H2,1-2H3
- InChI Key： QXACMWWXHUOJFI-UHFFFAOYSA-N
- SMILES： ClC1=CC(C(=O)OCC)=NC(=N1)SC
Computed Properties
- Exact Mass: 232.00700
- Monoisotopic Mass: 232.007
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 206
- 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: 2.6
- Topological Polar Surface Area: 77.4?2
Experimental Properties
- Density: 1.37
- Boiling Point: 341.3°C at 760 mmHg
- Flash Point: 160.2°C
- Refractive Index: 1.568
- PSA: 77.38000
- LogP: 2.02860
Ethyl 6-chloro-2-methylsulfanylpyrimidine-4-carboxylate Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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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
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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