1-bromo-3-ethylsulfanyl-2-fluorobenzene

C8H8BrFS — CID 91875922

IUPAC1-bromo-3-ethylsulfanyl-2-fluorobenzene
SMILESCCSc1cccc(Br)c1F
InChIInChI=1S/C8H8BrFS/c1-2-11-7-5-3-4-6(9)8(7)10/h3-5H,2H2,1H3
InChIKeyGEIPYKHGIUCHBR-UHFFFAOYSA-N
MW235.12 g/mol
LogP3.70
Rot. Bonds2

About 1-bromo-3-ethylsulfanyl-2-fluorobenzene

1-bromo-3-ethylsulfanyl-2-fluorobenzene (PubChem CID 91875922) has the molecular formula C8H8BrFS and a molecular weight of 235.12 g/mol. Its IUPAC name is 1-bromo-3-ethylsulfanyl-2-fluorobenzene.

Molecular Properties

Compound Name1-bromo-3-ethylsulfanyl-2-fluorobenzene
PubChem CID91875922
Molecular FormulaC8H8BrFS
Molecular Weight235.12 g/mol
Exact Mass233.95
IUPAC Name1-bromo-3-ethylsulfanyl-2-fluorobenzene
SMILESCCSc1cccc(Br)c1F
InChIInChI=1S/C8H8BrFS/c1-2-11-7-5-3-4-6(9)8(7)10/h3-5H,2H2,1H3
InChIKeyGEIPYKHGIUCHBR-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.12
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-ethylsulfanyl-2-fluorobenzene?
The IUPAC name of 1-bromo-3-ethylsulfanyl-2-fluorobenzene (CID 91875922) is 1-bromo-3-ethylsulfanyl-2-fluorobenzene.
What is the SMILES notation for 1-bromo-3-ethylsulfanyl-2-fluorobenzene?
The canonical SMILES for 1-bromo-3-ethylsulfanyl-2-fluorobenzene is CCSc1cccc(Br)c1F.
What is the InChIKey of 1-bromo-3-ethylsulfanyl-2-fluorobenzene?
The InChIKey is GEIPYKHGIUCHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFS/c1-2-11-7-5-3-4-6(9)8(7)10/h3-5H,2H2,1H3.
What are the key properties of 1-bromo-3-ethylsulfanyl-2-fluorobenzene?
1-bromo-3-ethylsulfanyl-2-fluorobenzene has a molecular weight of 235.12 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-ethylsulfanyl-2-fluorobenzene is sourced from PubChem (CID 91875922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).