1-(2-fluorophenyl)sulfanyl-2,4-dimethylbenzene

C14H13FS — CID 86343633

IUPAC1-(2-fluorophenyl)sulfanyl-2,4-dimethylbenzene
SMILESCc1ccc(Sc2ccccc2F)c(C)c1
InChIInChI=1S/C14H13FS/c1-10-7-8-13(11(2)9-10)16-14-6-4-3-5-12(14)15/h3-9H,1-2H3
InChIKeyITBRLIRGDANTNC-UHFFFAOYSA-N
MW232.32 g/mol
LogP4.59
Rot. Bonds2

About 1-(2-fluorophenyl)sulfanyl-2,4-dimethylbenzene

1-(2-fluorophenyl)sulfanyl-2,4-dimethylbenzene (PubChem CID 86343633) has the molecular formula C14H13FS and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfanyl-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfanyl-2,4-dimethylbenzene
PubChem CID86343633
Molecular FormulaC14H13FS
Molecular Weight232.32 g/mol
Exact Mass232.07
IUPAC Name1-(2-fluorophenyl)sulfanyl-2,4-dimethylbenzene
SMILESCc1ccc(Sc2ccccc2F)c(C)c1
InChIInChI=1S/C14H13FS/c1-10-7-8-13(11(2)9-10)16-14-6-4-3-5-12(14)15/h3-9H,1-2H3
InChIKeyITBRLIRGDANTNC-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfanyl-2,4-dimethylbenzene?
The IUPAC name of 1-(2-fluorophenyl)sulfanyl-2,4-dimethylbenzene (CID 86343633) is 1-(2-fluorophenyl)sulfanyl-2,4-dimethylbenzene.
What is the SMILES notation for 1-(2-fluorophenyl)sulfanyl-2,4-dimethylbenzene?
The canonical SMILES for 1-(2-fluorophenyl)sulfanyl-2,4-dimethylbenzene is Cc1ccc(Sc2ccccc2F)c(C)c1.
What is the InChIKey of 1-(2-fluorophenyl)sulfanyl-2,4-dimethylbenzene?
The InChIKey is ITBRLIRGDANTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FS/c1-10-7-8-13(11(2)9-10)16-14-6-4-3-5-12(14)15/h3-9H,1-2H3.
What are the key properties of 1-(2-fluorophenyl)sulfanyl-2,4-dimethylbenzene?
1-(2-fluorophenyl)sulfanyl-2,4-dimethylbenzene has a molecular weight of 232.32 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfanyl-2,4-dimethylbenzene is sourced from PubChem (CID 86343633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).