1-phenyl-2-(trifluoromethylsulfanyl)benzene

C13H9F3S — CID 10923065

IUPAC1-phenyl-2-(trifluoromethylsulfanyl)benzene
SMILESFC(F)(F)Sc1ccccc1-c1ccccc1
InChIInChI=1S/C13H9F3S/c14-13(15,16)17-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
InChIKeyGUDCYYVXWFVCRV-UHFFFAOYSA-N
MW254.28 g/mol
LogP4.97
Rot. Bonds2

About 1-phenyl-2-(trifluoromethylsulfanyl)benzene

1-phenyl-2-(trifluoromethylsulfanyl)benzene (PubChem CID 10923065) has the molecular formula C13H9F3S and a molecular weight of 254.28 g/mol. Its IUPAC name is 1-phenyl-2-(trifluoromethylsulfanyl)benzene.

Molecular Properties

Compound Name1-phenyl-2-(trifluoromethylsulfanyl)benzene
PubChem CID10923065
Molecular FormulaC13H9F3S
Molecular Weight254.28 g/mol
Exact Mass254.04
IUPAC Name1-phenyl-2-(trifluoromethylsulfanyl)benzene
SMILESFC(F)(F)Sc1ccccc1-c1ccccc1
InChIInChI=1S/C13H9F3S/c14-13(15,16)17-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
InChIKeyGUDCYYVXWFVCRV-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Thioxanthene
CID 67495
4,4'-Bis-methylsulfanyl-biphenyl
CID 618859
Phenethyl phenyl sulfide
CID 139634
Benzene, 1-methyl-2-(phenylthio)-
CID 139652
Phenyl styryl sulfide
CID 611297
Alpha,alpha-dimethylbenzyl phenyl sulfide
CID 576894
5-(Trifluoromethyl)-5H-dibenzo[B,D]thiophen-5-ium tetrafluoroborate
CID 2777504
5-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate
CID 2777507
1-Fluoro-2-(2-methylsulfonylphenyl)benzene
CID 69584348
Dibenzo[b,f]thiepin
CID 136074
Dibenzo(b,e)thiepin, 6,11-dihydro-
CID 136947
2-Trifluoromethylthioanisole
CID 2760783

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(trifluoromethylsulfanyl)benzene?
The IUPAC name of 1-phenyl-2-(trifluoromethylsulfanyl)benzene (CID 10923065) is 1-phenyl-2-(trifluoromethylsulfanyl)benzene.
What is the SMILES notation for 1-phenyl-2-(trifluoromethylsulfanyl)benzene?
The canonical SMILES for 1-phenyl-2-(trifluoromethylsulfanyl)benzene is FC(F)(F)Sc1ccccc1-c1ccccc1.
What is the InChIKey of 1-phenyl-2-(trifluoromethylsulfanyl)benzene?
The InChIKey is GUDCYYVXWFVCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3S/c14-13(15,16)17-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H.
What are the key properties of 1-phenyl-2-(trifluoromethylsulfanyl)benzene?
1-phenyl-2-(trifluoromethylsulfanyl)benzene has a molecular weight of 254.28 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(trifluoromethylsulfanyl)benzene is sourced from PubChem (CID 10923065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).