bromo-[4-(bromomethyl)phenyl]-diphenyl-λ4-sulfane

C19H16Br2S — CID 164599439

IUPACbromo-[4-(bromomethyl)phenyl]-diphenyl-λ4-sulfane
SMILESBrCc1ccc(S(Br)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H16Br2S/c20-15-16-11-13-19(14-12-16)22(21,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,15H2
InChIKeyDQVFOEQIOMGMAX-UHFFFAOYSA-N
MW436.21 g/mol
LogP7.17
Rot. Bonds4

About bromo-[4-(bromomethyl)phenyl]-diphenyl-λ4-sulfane

bromo-[4-(bromomethyl)phenyl]-diphenyl-λ4-sulfane (PubChem CID 164599439) has the molecular formula C19H16Br2S and a molecular weight of 436.21 g/mol. Its IUPAC name is bromo-[4-(bromomethyl)phenyl]-diphenyl-λ4-sulfane.

Molecular Properties

Compound Namebromo-[4-(bromomethyl)phenyl]-diphenyl-λ4-sulfane
PubChem CID164599439
Molecular FormulaC19H16Br2S
Molecular Weight436.21 g/mol
Exact Mass433.93
IUPAC Namebromo-[4-(bromomethyl)phenyl]-diphenyl-λ4-sulfane
SMILESBrCc1ccc(S(Br)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H16Br2S/c20-15-16-11-13-19(14-12-16)22(21,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,15H2
InChIKeyDQVFOEQIOMGMAX-UHFFFAOYSA-N
XLogP7.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.21
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1'-biphenyl;1-(bromomethyl)-4-phenylbenzene
CID 174560327
bromo-(4-tert-butylphenyl)-diphenyl-λ4-sulfane
CID 141160648
1,1'-biphenyl;bromomethylbenzene
CID 18398670
1-(bromomethyl)-4-ethylbenzene;ethylbenzene
CID 157176611
[4-(bromomethyl)phenyl]-triphenylphosphanium
CID 102127372
1-(bromomethyl)-4-(1,2,2-triphenylethenyl)benzene;ethane
CID 144540083
bromomethylbenzene;phenol
CID 67440564
2-[4-(bromomethyl)phenyl]sulfonylnaphthalene
CID 54331291
bromo-[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenyl-λ4-sulfane
CID 140512605
[4-(bromomethyl)phenyl]sulfonylmethanol
CID 21344055
bromomethylbenzene;1-(bromomethyl)-4-methoxybenzene
CID 70390972
tris[4-(bromomethyl)phenyl]phosphane
CID 58675353

Frequently Asked Questions

What is the IUPAC name of bromo-[4-(bromomethyl)phenyl]-diphenyl-λ4-sulfane?
The IUPAC name of bromo-[4-(bromomethyl)phenyl]-diphenyl-λ4-sulfane (CID 164599439) is bromo-[4-(bromomethyl)phenyl]-diphenyl-λ4-sulfane.
What is the SMILES notation for bromo-[4-(bromomethyl)phenyl]-diphenyl-λ4-sulfane?
The canonical SMILES for bromo-[4-(bromomethyl)phenyl]-diphenyl-λ4-sulfane is BrCc1ccc(S(Br)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bromo-[4-(bromomethyl)phenyl]-diphenyl-λ4-sulfane?
The InChIKey is DQVFOEQIOMGMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Br2S/c20-15-16-11-13-19(14-12-16)22(21,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,15H2.
What are the key properties of bromo-[4-(bromomethyl)phenyl]-diphenyl-λ4-sulfane?
bromo-[4-(bromomethyl)phenyl]-diphenyl-λ4-sulfane has a molecular weight of 436.21 g/mol, XLogP of 7.17, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-[4-(bromomethyl)phenyl]-diphenyl-λ4-sulfane is sourced from PubChem (CID 164599439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).