Name: 3-[(4-methyl-1H-imidazol-5-yl)methylthio]propylamine
SMILES:
Cc1nc[nH]c1CSCCCNMolecular Processing
Molecular formula
C8H15N3S
Molecular weight
185.3
Exact mass
185.0987
XLogP
1.3
TPSA
54.7
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
53.16
Supplementary Information
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