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1-bromo-3-(ethylsulfanyl)benzene

1-bromo-3-(ethylsulfanyl)benzene

CAS: 18184-69-5

Formula: C8H9BrS

SMILES: CCSC1=CC=CC(Br)=C1

IUPAC: 1-bromo-3-(ethylsulfanyl)benzene

InChI: InChI=1S/C8H9BrS/c1-2-10-8-5-3-4-7(9)6-8/h3-6H,2H2,1H3

Composition: C (44.25%), H (4.18%), Br (36.80%), S (14.77%)

Molar Mass: 217.12

Atom Count: 19

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 215.960834
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey DYKHQTGFDPTFQD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.24
Topological Polar Surface Area 0
Polarizability 19.77
Ring Count 1
Rotatable Bond Count 2

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