Name: 2-thioxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
SMILES:
O=c1[nH]c(=S)[nH]c2sccc12Molecular Processing
Molecular formula
C6H4N2OS2
Molecular weight
184.25
Exact mass
183.9765
XLogP
1.65
TPSA
48.65
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
11
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
47.63
Supplementary Information
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