Cas no 114082-13-2 (5-PYRIMIDINECARBOXAMIDE, 4-CHLORO-N-ETHYL-2-(METHYLTHIO)-)
114082-13-2 structure
Product Name:5-PYRIMIDINECARBOXAMIDE, 4-CHLORO-N-ETHYL-2-(METHYLTHIO)-
CAS No:114082-13-2
MF:C8H10ClN3OS
MW:231.702498912811
CID:3324472
PubChem ID:13857588
Update Time:2025-04-21
5-PYRIMIDINECARBOXAMIDE, 4-CHLORO-N-ETHYL-2-(METHYLTHIO)- Chemical and Physical Properties
Names and Identifiers
-
- 5-PYRIMIDINECARBOXAMIDE, 4-CHLORO-N-ETHYL-2-(METHYLTHIO)-
- DB-195688
- 4-Chloro-n-ethyl-2-(methylthio)-5-pyrimidinecarboxamide
- 114082-13-2
-
- Inchi： 1S/C8H10ClN3OS/c1-3-10-7(13)5-4-11-8(14-2)12-6(5)9/h4H,3H2,1-2H3,(H,10,13)
- InChI Key： GJPZIAWNXZUZJV-UHFFFAOYSA-N
- SMILES： C1(SC)=NC=C(C(NCC)=O)C(Cl)=N1
Computed Properties
- Exact Mass: 231.0233108Da
- Monoisotopic Mass: 231.0233108Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 205
- 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: 80.2?2
5-PYRIMIDINECARBOXAMIDE, 4-CHLORO-N-ETHYL-2-(METHYLTHIO)- Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
114082-13-2 (5-PYRIMIDINECARBOXAMIDE, 4-CHLORO-N-ETHYL-2-(METHYLTHIO)-) Related Products
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