1-bromo-4-(4-fluorophenyl)sulfanylbenzene

C12H8BrFS — CID 21200777

IUPAC1-bromo-4-(4-fluorophenyl)sulfanylbenzene
SMILESFc1ccc(Sc2ccc(Br)cc2)cc1
InChIInChI=1S/C12H8BrFS/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H
InChIKeyQLIDVPSNCAWOQJ-UHFFFAOYSA-N
MW283.17 g/mol
LogP4.74
Rot. Bonds2

About 1-bromo-4-(4-fluorophenyl)sulfanylbenzene

1-bromo-4-(4-fluorophenyl)sulfanylbenzene (PubChem CID 21200777) has the molecular formula C12H8BrFS and a molecular weight of 283.17 g/mol. Its IUPAC name is 1-bromo-4-(4-fluorophenyl)sulfanylbenzene.

Molecular Properties

Compound Name1-bromo-4-(4-fluorophenyl)sulfanylbenzene
PubChem CID21200777
Molecular FormulaC12H8BrFS
Molecular Weight283.17 g/mol
Exact Mass281.95
IUPAC Name1-bromo-4-(4-fluorophenyl)sulfanylbenzene
SMILESFc1ccc(Sc2ccc(Br)cc2)cc1
InChIInChI=1S/C12H8BrFS/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H
InChIKeyQLIDVPSNCAWOQJ-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4-fluorophenyl)sulfanylbenzene?
The IUPAC name of 1-bromo-4-(4-fluorophenyl)sulfanylbenzene (CID 21200777) is 1-bromo-4-(4-fluorophenyl)sulfanylbenzene.
What is the SMILES notation for 1-bromo-4-(4-fluorophenyl)sulfanylbenzene?
The canonical SMILES for 1-bromo-4-(4-fluorophenyl)sulfanylbenzene is Fc1ccc(Sc2ccc(Br)cc2)cc1.
What is the InChIKey of 1-bromo-4-(4-fluorophenyl)sulfanylbenzene?
The InChIKey is QLIDVPSNCAWOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFS/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H.
What are the key properties of 1-bromo-4-(4-fluorophenyl)sulfanylbenzene?
1-bromo-4-(4-fluorophenyl)sulfanylbenzene has a molecular weight of 283.17 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(4-fluorophenyl)sulfanylbenzene is sourced from PubChem (CID 21200777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).