(2,3,4-trichlorophenyl)sulfanium bromide

C6H4BrCl3S — CID 172857686

IUPAC(2,3,4-trichlorophenyl)sulfanium bromide
SMILES[Br-].[SH2+]c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C6H3Cl3S.BrH/c7-3-1-2-4(10)6(9)5(3)8;/h1-2,10H;1H
InChIKeyYXYJGCHYMFAXJY-UHFFFAOYSA-N
MW294.43 g/mol
LogP0.02
Rot. Bonds

About (2,3,4-trichlorophenyl)sulfanium bromide

(2,3,4-trichlorophenyl)sulfanium bromide (PubChem CID 172857686) has the molecular formula C6H4BrCl3S and a molecular weight of 294.43 g/mol. Its IUPAC name is (2,3,4-trichlorophenyl)sulfanium bromide.

Molecular Properties

Compound Name(2,3,4-trichlorophenyl)sulfanium bromide
PubChem CID172857686
Molecular FormulaC6H4BrCl3S
Molecular Weight294.43 g/mol
Exact Mass291.83
IUPAC Name(2,3,4-trichlorophenyl)sulfanium bromide
SMILES[Br-].[SH2+]c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C6H3Cl3S.BrH/c7-3-1-2-4(10)6(9)5(3)8;/h1-2,10H;1H
InChIKeyYXYJGCHYMFAXJY-UHFFFAOYSA-N
XLogP0.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.43
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,3,4-trichlorophenyl)sulfanium bromide?
The IUPAC name of (2,3,4-trichlorophenyl)sulfanium bromide (CID 172857686) is (2,3,4-trichlorophenyl)sulfanium bromide.
What is the SMILES notation for (2,3,4-trichlorophenyl)sulfanium bromide?
The canonical SMILES for (2,3,4-trichlorophenyl)sulfanium bromide is [Br-].[SH2+]c1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of (2,3,4-trichlorophenyl)sulfanium bromide?
The InChIKey is YXYJGCHYMFAXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl3S.BrH/c7-3-1-2-4(10)6(9)5(3)8;/h1-2,10H;1H.
What are the key properties of (2,3,4-trichlorophenyl)sulfanium bromide?
(2,3,4-trichlorophenyl)sulfanium bromide has a molecular weight of 294.43 g/mol, XLogP of 0.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4-trichlorophenyl)sulfanium bromide is sourced from PubChem (CID 172857686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).