Name: 5-(3-methylbenzyl)-2-thiouracil
SMILES:
Cc1cccc(Cc2c[nH]c(=S)[nH]c2=O)c1Molecular Processing
Molecular formula
C12H12N2OS
Molecular weight
232.31
Exact mass
232.067
XLogP
2.33
TPSA
48.65
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
66.23
Supplementary Information
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