CC1(CC(=O)SC2=C1C=C(C=C2)Br)C
Nombre: 6-bromo-4,4-dimethyl-3H-thiochromen-2-one
SMILES: CC1(CC(=O)SC2=C1C=C(C=C2)Br)C

Molecular Processing

Molecular formula
C11H11BrOS
Molecular weight
271.18
Exact mass
269.9714
XLogP
3.75
TPSA
17.07
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
62.65

Supplementary Information

InChIKey: JXECCEUIYMEVLB-UHFFFAOYSA-N
Sinónimos
SCHEMBL8558911JXECCEUIYMEVLB-UHFFFAOYSA-N4,4-Dimethyl-6-bromo-2-oxo-thiochroman4.4-Dimethyl-6-bromo-2-oxo-thiochroman4,4,-Dimethyl-6-bromo-2-oxo-thiochroman
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