名称: methyl 2-mercapto-4-phenylthieno[3,4-d]imidazole-6-carboxylate
SMILES:
COC(=O)c1sc(-c2ccccc2)c2[nH]c(S)nc12Molecular Processing
Molecular formula
C13H10N2O2S2
Molecular weight
290.37
Exact mass
290.0184
XLogP
3.37
TPSA
54.98
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
78
Supplementary Information
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