Name: methyl 4-(aminothioxomethyl)-5-methylthiothiophene-2-carboxylate
SMILES:
COC(=S)c1cc(C(N)=S)c(C)s1Molecular Processing
Molecular formula
C8H9NOS3
Molecular weight
231.37
Exact mass
230.9846
XLogP
2.01
TPSA
35.25
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
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
0.25
Molar refractivity
63.65
Supplementary Information
Details werden geladen…
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