(4-bromophenyl)methyl-oxosulfanium

C7H6BrOS+ — CID 158930689

IUPAC(4-bromophenyl)methyl-oxosulfanium
SMILESO=[S+]Cc1ccc(Br)cc1
InChIInChI=1S/C7H6BrOS/c8-7-3-1-6(2-4-7)5-10-9/h1-4H,5H2/q+1
InChIKeyJIZZIESVZJLYFH-UHFFFAOYSA-N
MW218.09 g/mol
LogP2.38
Rot. Bonds2

About (4-bromophenyl)methyl-oxosulfanium

(4-bromophenyl)methyl-oxosulfanium (PubChem CID 158930689) has the molecular formula C7H6BrOS+ and a molecular weight of 218.09 g/mol. Its IUPAC name is (4-bromophenyl)methyl-oxosulfanium.

Molecular Properties

Compound Name(4-bromophenyl)methyl-oxosulfanium
PubChem CID158930689
Molecular FormulaC7H6BrOS+
Molecular Weight218.09 g/mol
Exact Mass216.93
IUPAC Name(4-bromophenyl)methyl-oxosulfanium
SMILESO=[S+]Cc1ccc(Br)cc1
InChIInChI=1S/C7H6BrOS/c8-7-3-1-6(2-4-7)5-10-9/h1-4H,5H2/q+1
InChIKeyJIZZIESVZJLYFH-UHFFFAOYSA-N
XLogP2.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.09
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-4-[2-(4-bromophenyl)ethyl]benzene
CID 12594240
3-(4-bromophenyl)-2-oxopropanoic acid
CID 598758
1-bromo-4-ethylbenzene
CID 20805498
CID 11811178
CID 11811178
(4-bromophenyl)methylazanium
CID 6951353
1-bromo-4-ethylbenzene
CID 15313
1-bromo-4-(bromomethyl)benzene;hydrofluoride
CID 175432482
[4-(3-bromo-5,5-dimethyl-4-oxofuran-2-yl)phenyl]methyl-oxosulfanium
CID 174372307
1,4-dibromobenzene;oxostibane
CID 173366156
(4-bromophenyl)methyl hydrogen carbonate
CID 21123816
azane;1,4-dibromobenzene
CID 175259215
1-bromo-4-(dimethylphosphorylmethyl)benzene
CID 58444641

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methyl-oxosulfanium?
The IUPAC name of (4-bromophenyl)methyl-oxosulfanium (CID 158930689) is (4-bromophenyl)methyl-oxosulfanium.
What is the SMILES notation for (4-bromophenyl)methyl-oxosulfanium?
The canonical SMILES for (4-bromophenyl)methyl-oxosulfanium is O=[S+]Cc1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)methyl-oxosulfanium?
The InChIKey is JIZZIESVZJLYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrOS/c8-7-3-1-6(2-4-7)5-10-9/h1-4H,5H2/q+1.
What are the key properties of (4-bromophenyl)methyl-oxosulfanium?
(4-bromophenyl)methyl-oxosulfanium has a molecular weight of 218.09 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methyl-oxosulfanium is sourced from PubChem (CID 158930689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).