Home Other Building Blocks 2-(4,6-dimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)ethanethioamide

2-(4,6-dimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)ethanethioamide

CAS No.:
1016769-70-2
Catalog Number:
AG01A8XI
Molecular Formula:
C8H11N3OS
Molecular Weight:
197.2574
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Product Description
Catalog Number:
AG01A8XI
Chemical Name:
2-(4,6-dimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)ethanethioamide
CAS Number:
1016769-70-2
Molecular Formula:
C8H11N3OS
Molecular Weight:
197.2574
MDL Number:
MFCD09935129
IUPAC Name:
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethanethioamide
InChI:
InChI=1S/C8H11N3OS/c1-5-3-6(2)11(4-7(9)13)8(12)10-5/h3H,4H2,1-2H3,(H2,9,13)
InChI Key:
JJEYOHTVRFXESK-UHFFFAOYSA-N
SMILES:
Cc1cc(C)nc(=O)n1CC(=S)N
Properties
Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.062g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
197.256g/mol
Monoisotopic Mass:
197.062g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties