1-methyl-2-phenylsulfanyl-4-(trifluoromethyl)benzene

C14H11F3S — CID 66706526

IUPAC1-methyl-2-phenylsulfanyl-4-(trifluoromethyl)benzene
SMILESCc1ccc(C(F)(F)F)cc1Sc1ccccc1
InChIInChI=1S/C14H11F3S/c1-10-7-8-11(14(15,16)17)9-13(10)18-12-5-3-2-4-6-12/h2-9H,1H3
InChIKeyJOYKWQULSCFTEV-UHFFFAOYSA-N
MW268.30 g/mol
LogP5.17
Rot. Bonds2

About 1-methyl-2-phenylsulfanyl-4-(trifluoromethyl)benzene

1-methyl-2-phenylsulfanyl-4-(trifluoromethyl)benzene (PubChem CID 66706526) has the molecular formula C14H11F3S and a molecular weight of 268.30 g/mol. Its IUPAC name is 1-methyl-2-phenylsulfanyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-methyl-2-phenylsulfanyl-4-(trifluoromethyl)benzene
PubChem CID66706526
Molecular FormulaC14H11F3S
Molecular Weight268.30 g/mol
Exact Mass268.05
IUPAC Name1-methyl-2-phenylsulfanyl-4-(trifluoromethyl)benzene
SMILESCc1ccc(C(F)(F)F)cc1Sc1ccccc1
InChIInChI=1S/C14H11F3S/c1-10-7-8-11(14(15,16)17)9-13(10)18-12-5-3-2-4-6-12/h2-9H,1H3
InChIKeyJOYKWQULSCFTEV-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.30
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis(trifluoromethyl)benzene;1,3,5-trimethyl-2-phenylsulfanylbenzene
CID 162622706
4-tert-butyl-2-methyl-1-phenylsulfanylbenzene
CID 134392387
2-[4-(benzenesulfonyl)phenyl]sulfanyl-4-tert-butyl-1-methylbenzene
CID 175289331
phenylsulfanylbenzene;trifluoromethylbenzene
CID 171924180
ethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;1,2-xylene
CID 168993279
N'-hydroxy-2-phenylsulfanyl-5-(trifluoromethyl)benzenecarboximidamide
CID 43331404
N-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfanylprop-1-en-1-amine
CID 167104177
2-(3-methylphenyl)sulfanyl-5-(trifluoromethyl)aniline
CID 63538392
2-bromo-1-(4-methylphenyl)sulfanyl-4-(trifluoromethyl)benzene
CID 68683971
2-(2-methylphenyl)sulfanyl-5-(trifluoromethyl)benzonitrile
CID 1489504
tert-butyl 4-[2-phenylsulfanyl-4-(trifluoromethyl)phenyl]piperazine-1-carboxylate
CID 141465612
[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethanol
CID 102751287

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-phenylsulfanyl-4-(trifluoromethyl)benzene?
The IUPAC name of 1-methyl-2-phenylsulfanyl-4-(trifluoromethyl)benzene (CID 66706526) is 1-methyl-2-phenylsulfanyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-methyl-2-phenylsulfanyl-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-methyl-2-phenylsulfanyl-4-(trifluoromethyl)benzene is Cc1ccc(C(F)(F)F)cc1Sc1ccccc1.
What is the InChIKey of 1-methyl-2-phenylsulfanyl-4-(trifluoromethyl)benzene?
The InChIKey is JOYKWQULSCFTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3S/c1-10-7-8-11(14(15,16)17)9-13(10)18-12-5-3-2-4-6-12/h2-9H,1H3.
What are the key properties of 1-methyl-2-phenylsulfanyl-4-(trifluoromethyl)benzene?
1-methyl-2-phenylsulfanyl-4-(trifluoromethyl)benzene has a molecular weight of 268.30 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-phenylsulfanyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 66706526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).