2-bromo-4-ethylsulfanyl-1-fluorobenzene

C8H8BrFS — CID 86704956

IUPAC2-bromo-4-ethylsulfanyl-1-fluorobenzene
SMILESCCSc1ccc(F)c(Br)c1
InChIInChI=1S/C8H8BrFS/c1-2-11-6-3-4-8(10)7(9)5-6/h3-5H,2H2,1H3
InChIKeyJSMVHJYSKRMUPU-UHFFFAOYSA-N
MW235.12 g/mol
LogP3.70
Rot. Bonds2

About 2-bromo-4-ethylsulfanyl-1-fluorobenzene

2-bromo-4-ethylsulfanyl-1-fluorobenzene (PubChem CID 86704956) has the molecular formula C8H8BrFS and a molecular weight of 235.12 g/mol. Its IUPAC name is 2-bromo-4-ethylsulfanyl-1-fluorobenzene.

Molecular Properties

Compound Name2-bromo-4-ethylsulfanyl-1-fluorobenzene
PubChem CID86704956
Molecular FormulaC8H8BrFS
Molecular Weight235.12 g/mol
Exact Mass233.95
IUPAC Name2-bromo-4-ethylsulfanyl-1-fluorobenzene
SMILESCCSc1ccc(F)c(Br)c1
InChIInChI=1S/C8H8BrFS/c1-2-11-6-3-4-8(10)7(9)5-6/h3-5H,2H2,1H3
InChIKeyJSMVHJYSKRMUPU-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 2-bromo-4-ethylsulfanyl-1-fluorobenzene?
The IUPAC name of 2-bromo-4-ethylsulfanyl-1-fluorobenzene (CID 86704956) is 2-bromo-4-ethylsulfanyl-1-fluorobenzene.
What is the SMILES notation for 2-bromo-4-ethylsulfanyl-1-fluorobenzene?
The canonical SMILES for 2-bromo-4-ethylsulfanyl-1-fluorobenzene is CCSc1ccc(F)c(Br)c1.
What is the InChIKey of 2-bromo-4-ethylsulfanyl-1-fluorobenzene?
The InChIKey is JSMVHJYSKRMUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFS/c1-2-11-6-3-4-8(10)7(9)5-6/h3-5H,2H2,1H3.
What are the key properties of 2-bromo-4-ethylsulfanyl-1-fluorobenzene?
2-bromo-4-ethylsulfanyl-1-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 2-bromo-4-ethylsulfanyl-1-fluorobenzene is sourced from PubChem (CID 86704956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).