1-phenyl-2-(trichloromethylsulfanyl)benzene

C13H9Cl3S — CID 11833621

IUPAC1-phenyl-2-(trichloromethylsulfanyl)benzene
SMILESClC(Cl)(Cl)Sc1ccccc1-c1ccccc1
InChIInChI=1S/C13H9Cl3S/c14-13(15,16)17-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
InChIKeyFWAAWWYKWFWQMU-UHFFFAOYSA-N
MW303.64 g/mol
LogP5.77
Rot. Bonds2

About 1-phenyl-2-(trichloromethylsulfanyl)benzene

1-phenyl-2-(trichloromethylsulfanyl)benzene (PubChem CID 11833621) has the molecular formula C13H9Cl3S and a molecular weight of 303.64 g/mol. Its IUPAC name is 1-phenyl-2-(trichloromethylsulfanyl)benzene.

Molecular Properties

Compound Name1-phenyl-2-(trichloromethylsulfanyl)benzene
PubChem CID11833621
Molecular FormulaC13H9Cl3S
Molecular Weight303.64 g/mol
Exact Mass301.95
IUPAC Name1-phenyl-2-(trichloromethylsulfanyl)benzene
SMILESClC(Cl)(Cl)Sc1ccccc1-c1ccccc1
InChIInChI=1S/C13H9Cl3S/c14-13(15,16)17-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
InChIKeyFWAAWWYKWFWQMU-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.64
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-2-phenylbenzene
CID 15655347
1-phenyl-2-sulfanyloxysulfanylbenzene
CID 87434752
(2-hydroxy-3-phenylphenyl) thiohypochlorite
CID 22013533
(2-phenylphenyl)sulfanylcarbonyl (2-phenylphenyl)sulfanylformate
CID 54440828
methane;1-phenyl-2-(2-phenylphenyl)benzene
CID 144789864
1,2-diphenyl-3-(trichloromethyl)benzene
CID 175404490
(2,3-diphenylphenyl) thiohypofluorite
CID 151424182
CID 69011285
CID 69011285
1-(dichloromethyl)-2-phenylbenzene;methane
CID 175246566
CID 159962191
CID 159962191
2-phenylaniline;hydrochloride
CID 5284347
palladium(2+);2-phenylaniline
CID 175718665

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(trichloromethylsulfanyl)benzene?
The IUPAC name of 1-phenyl-2-(trichloromethylsulfanyl)benzene (CID 11833621) is 1-phenyl-2-(trichloromethylsulfanyl)benzene.
What is the SMILES notation for 1-phenyl-2-(trichloromethylsulfanyl)benzene?
The canonical SMILES for 1-phenyl-2-(trichloromethylsulfanyl)benzene is ClC(Cl)(Cl)Sc1ccccc1-c1ccccc1.
What is the InChIKey of 1-phenyl-2-(trichloromethylsulfanyl)benzene?
The InChIKey is FWAAWWYKWFWQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3S/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-(trichloromethylsulfanyl)benzene?
1-phenyl-2-(trichloromethylsulfanyl)benzene has a molecular weight of 303.64 g/mol, XLogP of 5.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(trichloromethylsulfanyl)benzene is sourced from PubChem (CID 11833621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).