CCSC1=CCC(C2=C1C=C(C=C2)Br)(C)C
Название: 6-bromo-4-ethylsulfanyl-1,1-dimethyl-2H-naphthalene
SMILES: CCSC1=CCC(C2=C1C=C(C=C2)Br)(C)C

Molecular Processing

Molecular formula
C14H17BrS
Molecular weight
297.26
Exact mass
296.0234
XLogP
5.22
TPSA
0
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
77.89

Supplementary Information

InChIKey: GCTIBVVSUXFSNF-UHFFFAOYSA-N
Синонимы
SCHEMBL6294272GCTIBVVSUXFSNF-UHFFFAOYSA-N2-Bromo-5,6-dihydro-5,5-dimethyl8-(ethylthio)-naphthalene2-bromo-5,6dihydro-5,5-dimethyl-8-(ethylthio)-naphthalene2-Bromo-5,6-dihydro-5,5-dimethyl-8-(ethvlthio)-naphthalene2-Bromo-5,6-dihydro-5,5-dimethyl-8-(ethylthio)-naphthalene
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