2-bromo-1-fluoro-4-[(2-methylphenyl)methylsulfanylmethyl]benzene

C15H14BrFS — CID 55192429

IUPAC2-bromo-1-fluoro-4-[(2-methylphenyl)methylsulfanylmethyl]benzene
SMILESCc1ccccc1CSCc1ccc(F)c(Br)c1
InChIInChI=1S/C15H14BrFS/c1-11-4-2-3-5-13(11)10-18-9-12-6-7-15(17)14(16)8-12/h2-8H,9-10H2,1H3
InChIKeyZHXOZQXLKHQQFC-UHFFFAOYSA-N
MW325.25 g/mol
LogP5.33
Rot. Bonds4

About 2-bromo-1-fluoro-4-[(2-methylphenyl)methylsulfanylmethyl]benzene

2-bromo-1-fluoro-4-[(2-methylphenyl)methylsulfanylmethyl]benzene (PubChem CID 55192429) has the molecular formula C15H14BrFS and a molecular weight of 325.25 g/mol. Its IUPAC name is 2-bromo-1-fluoro-4-[(2-methylphenyl)methylsulfanylmethyl]benzene.

Molecular Properties

Compound Name2-bromo-1-fluoro-4-[(2-methylphenyl)methylsulfanylmethyl]benzene
PubChem CID55192429
Molecular FormulaC15H14BrFS
Molecular Weight325.25 g/mol
Exact Mass324.00
IUPAC Name2-bromo-1-fluoro-4-[(2-methylphenyl)methylsulfanylmethyl]benzene
SMILESCc1ccccc1CSCc1ccc(F)c(Br)c1
InChIInChI=1S/C15H14BrFS/c1-11-4-2-3-5-13(11)10-18-9-12-6-7-15(17)14(16)8-12/h2-8H,9-10H2,1H3
InChIKeyZHXOZQXLKHQQFC-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.25
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-bromo-1-fluoro-4-[(2-methylphenyl)methylsulfanylmethyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(benzylsulfanylmethyl)-2-bromo-1-fluorobenzene
CID 63458736
4-[(2-methylphenyl)methylsulfanylmethyl]phenol
CID 18959071
[4-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine
CID 55112779
2-[(3-bromo-4-fluorophenyl)methylsulfanyl]ethanol
CID 43502496
4-fluoro-3-[(2-methylphenyl)methylsulfanylmethyl]benzonitrile
CID 60705862
2-bromo-4-[(3,4-dimethylphenyl)sulfanylmethyl]-1-fluorobenzene
CID 55193761
2-bromo-1-fluoro-4-[(2-methoxyphenyl)sulfanylmethyl]benzene
CID 54971139
2-bromo-1-fluoro-4-[(3-methylphenyl)sulfanylmethyl]benzene
CID 63458750
4-[(3-bromo-4-fluorophenyl)methylsulfanyl]butan-2-amine
CID 66232791
[2-fluoro-3-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine
CID 107118915
2-bromo-4-[3-bromo-2-(bromomethyl)-2-(2-methylphenyl)propyl]-1-fluorobenzene
CID 79446093
4-[(2-methylphenyl)methylsulfanylmethyl]-2-nitroaniline
CID 62769498

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-fluoro-4-[(2-methylphenyl)methylsulfanylmethyl]benzene?
The IUPAC name of 2-bromo-1-fluoro-4-[(2-methylphenyl)methylsulfanylmethyl]benzene (CID 55192429) is 2-bromo-1-fluoro-4-[(2-methylphenyl)methylsulfanylmethyl]benzene.
What is the SMILES notation for 2-bromo-1-fluoro-4-[(2-methylphenyl)methylsulfanylmethyl]benzene?
The canonical SMILES for 2-bromo-1-fluoro-4-[(2-methylphenyl)methylsulfanylmethyl]benzene is Cc1ccccc1CSCc1ccc(F)c(Br)c1.
What is the InChIKey of 2-bromo-1-fluoro-4-[(2-methylphenyl)methylsulfanylmethyl]benzene?
The InChIKey is ZHXOZQXLKHQQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFS/c1-11-4-2-3-5-13(11)10-18-9-12-6-7-15(17)14(16)8-12/h2-8H,9-10H2,1H3.
What are the key properties of 2-bromo-1-fluoro-4-[(2-methylphenyl)methylsulfanylmethyl]benzene?
2-bromo-1-fluoro-4-[(2-methylphenyl)methylsulfanylmethyl]benzene has a molecular weight of 325.25 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-fluoro-4-[(2-methylphenyl)methylsulfanylmethyl]benzene is sourced from PubChem (CID 55192429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).