1-(4-bromophenyl)sulfanyl-3-(4-fluorophenyl)-5-methylbenzene

C19H14BrFS — CID 139249060

IUPAC1-(4-bromophenyl)sulfanyl-3-(4-fluorophenyl)-5-methylbenzene
SMILESCc1cc(Sc2ccc(Br)cc2)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C19H14BrFS/c1-13-10-15(14-2-6-17(21)7-3-14)12-19(11-13)22-18-8-4-16(20)5-9-18/h2-12H,1H3
InChIKeyGNHPHOTWQPSWJH-UHFFFAOYSA-N
MW373.29 g/mol
LogP6.71
Rot. Bonds3

About 1-(4-bromophenyl)sulfanyl-3-(4-fluorophenyl)-5-methylbenzene

1-(4-bromophenyl)sulfanyl-3-(4-fluorophenyl)-5-methylbenzene (PubChem CID 139249060) has the molecular formula C19H14BrFS and a molecular weight of 373.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfanyl-3-(4-fluorophenyl)-5-methylbenzene.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfanyl-3-(4-fluorophenyl)-5-methylbenzene
PubChem CID139249060
Molecular FormulaC19H14BrFS
Molecular Weight373.29 g/mol
Exact Mass372.00
IUPAC Name1-(4-bromophenyl)sulfanyl-3-(4-fluorophenyl)-5-methylbenzene
SMILESCc1cc(Sc2ccc(Br)cc2)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C19H14BrFS/c1-13-10-15(14-2-6-17(21)7-3-14)12-19(11-13)22-18-8-4-16(20)5-9-18/h2-12H,1H3
InChIKeyGNHPHOTWQPSWJH-UHFFFAOYSA-N
XLogP6.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.29
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(4-bromophenyl)sulfanyl-3-(4-fluorophenyl)-5-methylbenzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfanyl-3-(4-fluorophenyl)-5-methylbenzene?
The IUPAC name of 1-(4-bromophenyl)sulfanyl-3-(4-fluorophenyl)-5-methylbenzene (CID 139249060) is 1-(4-bromophenyl)sulfanyl-3-(4-fluorophenyl)-5-methylbenzene.
What is the SMILES notation for 1-(4-bromophenyl)sulfanyl-3-(4-fluorophenyl)-5-methylbenzene?
The canonical SMILES for 1-(4-bromophenyl)sulfanyl-3-(4-fluorophenyl)-5-methylbenzene is Cc1cc(Sc2ccc(Br)cc2)cc(-c2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-bromophenyl)sulfanyl-3-(4-fluorophenyl)-5-methylbenzene?
The InChIKey is GNHPHOTWQPSWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrFS/c1-13-10-15(14-2-6-17(21)7-3-14)12-19(11-13)22-18-8-4-16(20)5-9-18/h2-12H,1H3.
What are the key properties of 1-(4-bromophenyl)sulfanyl-3-(4-fluorophenyl)-5-methylbenzene?
1-(4-bromophenyl)sulfanyl-3-(4-fluorophenyl)-5-methylbenzene has a molecular weight of 373.29 g/mol, XLogP of 6.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfanyl-3-(4-fluorophenyl)-5-methylbenzene is sourced from PubChem (CID 139249060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).