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83335-28-8 | Pyrimidine,2-(ethenylthio)-
CAS No: 83335-28-8 Catalog No: AG004STN MDL No:
Product Description
Catalog Number:
AG004STN
Chemical Name:
Pyrimidine,2-(ethenylthio)-
CAS Number:
83335-28-8
Molecular Formula:
C6H6N2S
Molecular Weight:
138.1902
IUPAC Name:
2-ethenylsulfanylpyrimidine
InChI:
InChI=1S/C6H6N2S/c1-2-9-6-7-4-3-5-8-6/h2-5H,1H2
InChI Key:
NJRKPDOYRXMXAT-UHFFFAOYSA-N
SMILES:
C=CSc1ncccn1
Properties
Complexity:
89.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.025g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.188g/mol
Monoisotopic Mass:
138.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Rapid synthesis of CDP840 with 2-pyrimidyl vinyl sulfide as a platform. | The Journal of organic chemistry 20050819 |
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