Name: N-methyl-N'-[2-((5-methyl-4-imidazolyl)methylthio)ethyl]thiourea
SMILES:
CNC(=S)NCCSCc1nc[nH]c1CMolecular Processing
Molecular formula
C9H16N4S2
Molecular weight
244.39
Exact mass
244.0816
XLogP
1.05
TPSA
52.74
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
69.15
Supplementary Information
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