이름: 4-ethylamino-2-methylsulfanyl-pyrimidine-5-carboxaldehyde
SMILES:
CCNc1nc(SC)ncc1C=OMolecular Processing
Molecular formula
C8H11N3OS
Molecular weight
197.26
Exact mass
197.0623
XLogP
1.44
TPSA
54.88
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
53.36
Supplementary Information
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