Name: 1-Bromo-4-[(3-methylbut-3-en-1-yl)sulfanyl]benzene
SMILES:
C=C(C)CCSc1ccc(Br)cc1Molecular Processing
Molecular formula
C11H13BrS
Molecular weight
257.2
Exact mass
255.9921
XLogP
4.51
TPSA
0
H-bond donors
0
H-bond acceptors
1
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
2
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
64.3
Supplementary Information
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