1-(difluoromethyl)-2-phenylsulfanylbenzene

C13H10F2S — CID 150070990

IUPAC1-(difluoromethyl)-2-phenylsulfanylbenzene
SMILESFC(F)c1ccccc1Sc1ccccc1
InChIInChI=1S/C13H10F2S/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9,13H
InChIKeyDPGRXBHLDPYBME-UHFFFAOYSA-N
MW236.29 g/mol
LogP4.78
Rot. Bonds3

About 1-(difluoromethyl)-2-phenylsulfanylbenzene

1-(difluoromethyl)-2-phenylsulfanylbenzene (PubChem CID 150070990) has the molecular formula C13H10F2S and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-phenylsulfanylbenzene.

Molecular Properties

Compound Name1-(difluoromethyl)-2-phenylsulfanylbenzene
PubChem CID150070990
Molecular FormulaC13H10F2S
Molecular Weight236.29 g/mol
Exact Mass236.05
IUPAC Name1-(difluoromethyl)-2-phenylsulfanylbenzene
SMILESFC(F)c1ccccc1Sc1ccccc1
InChIInChI=1S/C13H10F2S/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9,13H
InChIKeyDPGRXBHLDPYBME-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Thioxanthene
CID 67495
Benzyl phenyl sulfide
CID 13255
Phenethyl phenyl sulfide
CID 139634
Phenyl 3-phenylpropyl sulphide
CID 141544
Benzene, 1-methyl-4-(phenylthio)-
CID 138011
Benzene, 1-methyl-2-(phenylthio)-
CID 139652
1-Methyl-2-(methylsulfanyl)benzene
CID 259743
Phenyl styryl sulfide
CID 611297
Alpha,alpha-dimethylbenzyl phenyl sulfide
CID 576894
Benzyl 2,2,2-trifluoroethyl sulfide
CID 2737790
4-(Trifluoromethylthio)toluene
CID 2777908
Dibenzo[b,f]thiepin
CID 136074

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2-phenylsulfanylbenzene?
The IUPAC name of 1-(difluoromethyl)-2-phenylsulfanylbenzene (CID 150070990) is 1-(difluoromethyl)-2-phenylsulfanylbenzene.
What is the SMILES notation for 1-(difluoromethyl)-2-phenylsulfanylbenzene?
The canonical SMILES for 1-(difluoromethyl)-2-phenylsulfanylbenzene is FC(F)c1ccccc1Sc1ccccc1.
What is the InChIKey of 1-(difluoromethyl)-2-phenylsulfanylbenzene?
The InChIKey is DPGRXBHLDPYBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2S/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9,13H.
What are the key properties of 1-(difluoromethyl)-2-phenylsulfanylbenzene?
1-(difluoromethyl)-2-phenylsulfanylbenzene has a molecular weight of 236.29 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2-phenylsulfanylbenzene is sourced from PubChem (CID 150070990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).