1-bromo-2-[(2-fluorophenyl)sulfanylmethyl]benzene

C13H10BrFS — CID 60623992

IUPAC1-bromo-2-[(2-fluorophenyl)sulfanylmethyl]benzene
SMILESFc1ccccc1SCc1ccccc1Br
InChIInChI=1S/C13H10BrFS/c14-11-6-2-1-5-10(11)9-16-13-8-4-3-7-12(13)15/h1-8H,9H2
InChIKeyMLYZGMIGKMGVIG-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.88
Rot. Bonds3

About 1-bromo-2-[(2-fluorophenyl)sulfanylmethyl]benzene

1-bromo-2-[(2-fluorophenyl)sulfanylmethyl]benzene (PubChem CID 60623992) has the molecular formula C13H10BrFS and a molecular weight of 297.19 g/mol. Its IUPAC name is 1-bromo-2-[(2-fluorophenyl)sulfanylmethyl]benzene.

Molecular Properties

Compound Name1-bromo-2-[(2-fluorophenyl)sulfanylmethyl]benzene
PubChem CID60623992
Molecular FormulaC13H10BrFS
Molecular Weight297.19 g/mol
Exact Mass295.97
IUPAC Name1-bromo-2-[(2-fluorophenyl)sulfanylmethyl]benzene
SMILESFc1ccccc1SCc1ccccc1Br
InChIInChI=1S/C13H10BrFS/c14-11-6-2-1-5-10(11)9-16-13-8-4-3-7-12(13)15/h1-8H,9H2
InChIKeyMLYZGMIGKMGVIG-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(2-fluorophenyl)sulfanylmethyl]benzene?
The IUPAC name of 1-bromo-2-[(2-fluorophenyl)sulfanylmethyl]benzene (CID 60623992) is 1-bromo-2-[(2-fluorophenyl)sulfanylmethyl]benzene.
What is the SMILES notation for 1-bromo-2-[(2-fluorophenyl)sulfanylmethyl]benzene?
The canonical SMILES for 1-bromo-2-[(2-fluorophenyl)sulfanylmethyl]benzene is Fc1ccccc1SCc1ccccc1Br.
What is the InChIKey of 1-bromo-2-[(2-fluorophenyl)sulfanylmethyl]benzene?
The InChIKey is MLYZGMIGKMGVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFS/c14-11-6-2-1-5-10(11)9-16-13-8-4-3-7-12(13)15/h1-8H,9H2.
What are the key properties of 1-bromo-2-[(2-fluorophenyl)sulfanylmethyl]benzene?
1-bromo-2-[(2-fluorophenyl)sulfanylmethyl]benzene has a molecular weight of 297.19 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(2-fluorophenyl)sulfanylmethyl]benzene is sourced from PubChem (CID 60623992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).