C1COCCC1SC2=CC=C(C=C2)Br
CAS: 165119-50-6
Name: 4-(4-bromophenyl)sulfanyloxane
SMILES: C1COCCC1SC2=CC=C(C=C2)Br

Molecular Processing

Molecular formula
C11H13BrOS
Molecular weight
273.19
Exact mass
271.987
XLogP
3.72
TPSA
9.23
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
63.84

Supplementary Information

InChIKey: YQYYCYIFNAEAJK-UHFFFAOYSA-N
Synonyme
4-(4-bromophenylthio)tetrahydro-2H-pyran165119-50-6SCHEMBL1939589YQYYCYIFNAEAJK-UHFFFAOYSA-N4-(4-Bromophenyl)sulfanyltetrahydropyran4-(4-Bromophenylthio)-tetrahydro-2H-pyranDB-315780
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