Nombre: 3-pyridin-4-ylsulfanylpropan-1-amine;dihydrochloride
SMILES:
C1=CN=CC=C1SCCCN.Cl.ClMolecular Processing
Molecular formula
C8H14Cl2N2S
Molecular weight
241.19
Exact mass
240.0255
XLogP
2.37
TPSA
38.91
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
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
3
Fraction Csp3
0.375
Molar refractivity
63.13
Supplementary Information
InChIKey: BETWUXQWGSLQBN-UHFFFAOYSA-N
Sinónimos
SCHEMBL8617493BETWUXQWGSLQBN-UHFFFAOYSA-N4-(3-aminopropylthio)pyridine dihydrochloride4-(3-aminopropylthio) pyridine dihydrochloride
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