dimethyl-(2,4,6-tribromophenyl)sulfanium

C8H8Br3S+ — CID 154075909

IUPACdimethyl-(2,4,6-tribromophenyl)sulfanium
SMILESC[S+](C)c1c(Br)cc(Br)cc1Br
InChIInChI=1S/C8H8Br3S/c1-12(2)8-6(10)3-5(9)4-7(8)11/h3-4H,1-2H3/q+1
InChIKeyJMLQRECKAMADSW-UHFFFAOYSA-N
MW375.93 g/mol
LogP4.21
Rot. Bonds1

About dimethyl-(2,4,6-tribromophenyl)sulfanium

dimethyl-(2,4,6-tribromophenyl)sulfanium (PubChem CID 154075909) has the molecular formula C8H8Br3S+ and a molecular weight of 375.93 g/mol. Its IUPAC name is dimethyl-(2,4,6-tribromophenyl)sulfanium.

Molecular Properties

Compound Namedimethyl-(2,4,6-tribromophenyl)sulfanium
PubChem CID154075909
Molecular FormulaC8H8Br3S+
Molecular Weight375.93 g/mol
Exact Mass372.79
IUPAC Namedimethyl-(2,4,6-tribromophenyl)sulfanium
SMILESC[S+](C)c1c(Br)cc(Br)cc1Br
InChIInChI=1S/C8H8Br3S/c1-12(2)8-6(10)3-5(9)4-7(8)11/h3-4H,1-2H3/q+1
InChIKeyJMLQRECKAMADSW-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.93
LogP ≤ 54.21
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

1,3,5-tribromo-2-[1-(2,4,6-tribromophenyl)ethyl]benzene
CID 139670276
copper bis(2,4,6-tribromophenolate)
CID 20521832
azane;2,4,6-tribromo-N-(2,4,6-tribromophenyl)aniline
CID 88686160
2,4-dibromo-6-methylaniline;dihydrobromide
CID 175177436
(2,4,6-tribromophenyl) propanoate
CID 3018659
bis(2,4,6-tribromophenyl)methanamine
CID 141289541
1,5-dibromo-2-methyl-3-methylsulfanylbenzene
CID 20756945
N-(2-amino-4,6-dibromophenyl)methanesulfonamide
CID 43550705
1-bromo-3,5-dimethylbenzene;methane;1,3,5-trimethylbenzene
CID 159079937
1-bromo-3,5-dimethylbenzene;ethane
CID 144646164
2,4-dibromo-6-methylbenzaldehyde
CID 102195216
2,4,6-tribromo-N-methylbenzenesulfonamide
CID 130548849

Frequently Asked Questions

What is the IUPAC name of dimethyl-(2,4,6-tribromophenyl)sulfanium?
The IUPAC name of dimethyl-(2,4,6-tribromophenyl)sulfanium (CID 154075909) is dimethyl-(2,4,6-tribromophenyl)sulfanium.
What is the SMILES notation for dimethyl-(2,4,6-tribromophenyl)sulfanium?
The canonical SMILES for dimethyl-(2,4,6-tribromophenyl)sulfanium is C[S+](C)c1c(Br)cc(Br)cc1Br.
What is the InChIKey of dimethyl-(2,4,6-tribromophenyl)sulfanium?
The InChIKey is JMLQRECKAMADSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br3S/c1-12(2)8-6(10)3-5(9)4-7(8)11/h3-4H,1-2H3/q+1.
What are the key properties of dimethyl-(2,4,6-tribromophenyl)sulfanium?
dimethyl-(2,4,6-tribromophenyl)sulfanium has a molecular weight of 375.93 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2,4,6-tribromophenyl)sulfanium is sourced from PubChem (CID 154075909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).