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84755-30-6 | 5-Pyrimidinecarboxaldehyde, 4-methyl-2-(methylthio)-
CAS No: 84755-30-6 Catalog No: AG004RW5 MDL No:MFCD24675751
Product Description
Catalog Number:
AG004RW5
Chemical Name:
5-Pyrimidinecarboxaldehyde, 4-methyl-2-(methylthio)-
CAS Number:
84755-30-6
Molecular Formula:
C7H8N2OS
Molecular Weight:
168.2162
MDL Number:
MFCD24675751
IUPAC Name:
4-methyl-2-methylsulfanylpyrimidine-5-carbaldehyde
InChI:
InChI=1S/C7H8N2OS/c1-5-6(4-10)3-8-7(9-5)11-2/h3-4H,1-2H3
InChI Key:
USAOTNPPRRYVHF-UHFFFAOYSA-N
SMILES:
CSc1ncc(c(n1)C)C=O
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.036g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.214g/mol
Monoisotopic Mass:
168.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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