Name: 2-[(4-hydroxymethyl-1H-imidazol-5-yl)methylthio]-ethylamine
SMILES:
NCCSCc1[nH]cnc1COMolecular Processing
Molecular formula
C7H13N3OS
Molecular weight
187.27
Exact mass
187.0779
XLogP
0.09
TPSA
74.93
H-bond donors
3
H-bond acceptors
4
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
5
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
49.73
Supplementary Information
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Involved in 1 reactions→