Name: 3-[4-(4-methylbenzyl)piperazin-1-yl]propanethiol dihydrochloride
SMILES:
Cc1ccc(CN2CCN(CCCS)CC2)cc1.Cl.ClMolecular Processing
Molecular formula
C15H26Cl2N2S
Molecular weight
337.36
Exact mass
336.1194
XLogP
3.28
TPSA
6.48
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
3
Fraction Csp3
0.6
Molar refractivity
95.86
Supplementary Information
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Involved in 4 reactions→