dimethyl-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfanium

C15H14F3S+ — CID 175896101

IUPACdimethyl-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfanium
SMILESC[S+](C)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H14F3S/c1-19(2)14-9-5-12(6-10-14)11-3-7-13(8-4-11)15(16,17)18/h3-10H,1-2H3/q+1
InChIKeyJACJDAWYAOMCFT-UHFFFAOYSA-N
MW283.34 g/mol
LogP4.61
Rot. Bonds2

About dimethyl-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfanium

dimethyl-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfanium (PubChem CID 175896101) has the molecular formula C15H14F3S+ and a molecular weight of 283.34 g/mol. Its IUPAC name is dimethyl-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfanium.

Molecular Properties

Compound Namedimethyl-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfanium
PubChem CID175896101
Molecular FormulaC15H14F3S+
Molecular Weight283.34 g/mol
Exact Mass283.08
IUPAC Namedimethyl-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfanium
SMILESC[S+](C)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H14F3S/c1-19(2)14-9-5-12(6-10-14)11-3-7-13(8-4-11)15(16,17)18/h3-10H,1-2H3/q+1
InChIKeyJACJDAWYAOMCFT-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene
CID 19095059
1-methyl-4-(trifluoromethyl)benzene bromide
CID 158317252
1-(cyclopropen-1-yl)-4-(trifluoromethyl)benzene
CID 101091649
1-(trifluoromethyl)-4-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]benzene
CID 143875518
1-methyl-4-[4-(trifluoromethyl)phenyl]pyridin-1-ium iodide
CID 24799783
trimethoxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane
CID 90172461
phenyl-bis[4-(trifluoromethyl)phenyl]sulfanium bromide
CID 86043947
trihydroxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane
CID 90172329
[4-(trifluoromethyl)phenyl]alumane
CID 173025651
1,3-dichloro-5-[4-(trifluoromethyl)phenyl]benzene
CID 57139215
[4-[4-(trifluoromethyl)phenyl]phenyl]methylarsane
CID 173105790

Frequently Asked Questions

What is the IUPAC name of dimethyl-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfanium?
The IUPAC name of dimethyl-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfanium (CID 175896101) is dimethyl-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfanium.
What is the SMILES notation for dimethyl-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfanium?
The canonical SMILES for dimethyl-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfanium is C[S+](C)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of dimethyl-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfanium?
The InChIKey is JACJDAWYAOMCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3S/c1-19(2)14-9-5-12(6-10-14)11-3-7-13(8-4-11)15(16,17)18/h3-10H,1-2H3/q+1.
What are the key properties of dimethyl-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfanium?
dimethyl-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfanium has a molecular weight of 283.34 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfanium is sourced from PubChem (CID 175896101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).