5-bromo-1-ethylsulfanyl-2-fluoro-3-methoxybenzene

C9H10BrFOS — CID 171366793

IUPAC5-bromo-1-ethylsulfanyl-2-fluoro-3-methoxybenzene
SMILESCCSc1cc(Br)cc(OC)c1F
InChIInChI=1S/C9H10BrFOS/c1-3-13-8-5-6(10)4-7(12-2)9(8)11/h4-5H,3H2,1-2H3
InChIKeyNTWGYMLVXBTKHB-UHFFFAOYSA-N
MW265.15 g/mol
LogP3.71
Rot. Bonds3

About 5-bromo-1-ethylsulfanyl-2-fluoro-3-methoxybenzene

5-bromo-1-ethylsulfanyl-2-fluoro-3-methoxybenzene (PubChem CID 171366793) has the molecular formula C9H10BrFOS and a molecular weight of 265.15 g/mol. Its IUPAC name is 5-bromo-1-ethylsulfanyl-2-fluoro-3-methoxybenzene.

Molecular Properties

Compound Name5-bromo-1-ethylsulfanyl-2-fluoro-3-methoxybenzene
PubChem CID171366793
Molecular FormulaC9H10BrFOS
Molecular Weight265.15 g/mol
Exact Mass263.96
IUPAC Name5-bromo-1-ethylsulfanyl-2-fluoro-3-methoxybenzene
SMILESCCSc1cc(Br)cc(OC)c1F
InChIInChI=1S/C9H10BrFOS/c1-3-13-8-5-6(10)4-7(12-2)9(8)11/h4-5H,3H2,1-2H3
InChIKeyNTWGYMLVXBTKHB-UHFFFAOYSA-N
XLogP3.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-ethylsulfanyl-2-fluoro-3-methoxybenzene?
The IUPAC name of 5-bromo-1-ethylsulfanyl-2-fluoro-3-methoxybenzene (CID 171366793) is 5-bromo-1-ethylsulfanyl-2-fluoro-3-methoxybenzene.
What is the SMILES notation for 5-bromo-1-ethylsulfanyl-2-fluoro-3-methoxybenzene?
The canonical SMILES for 5-bromo-1-ethylsulfanyl-2-fluoro-3-methoxybenzene is CCSc1cc(Br)cc(OC)c1F.
What is the InChIKey of 5-bromo-1-ethylsulfanyl-2-fluoro-3-methoxybenzene?
The InChIKey is NTWGYMLVXBTKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFOS/c1-3-13-8-5-6(10)4-7(12-2)9(8)11/h4-5H,3H2,1-2H3.
What are the key properties of 5-bromo-1-ethylsulfanyl-2-fluoro-3-methoxybenzene?
5-bromo-1-ethylsulfanyl-2-fluoro-3-methoxybenzene has a molecular weight of 265.15 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-ethylsulfanyl-2-fluoro-3-methoxybenzene is sourced from PubChem (CID 171366793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).