[4-bromo-3-(trifluoromethyl)phenyl]-oxosulfanium

C7H3BrF3OS+ — CID 174512968

IUPAC[4-bromo-3-(trifluoromethyl)phenyl]-oxosulfanium
SMILESO=[S+]c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C7H3BrF3OS/c8-6-2-1-4(13-12)3-5(6)7(9,10)11/h1-3H/q+1
InChIKeyCSYUUPIZNIMWEV-UHFFFAOYSA-N
MW272.06 g/mol
LogP3.25
Rot. Bonds1

About [4-bromo-3-(trifluoromethyl)phenyl]-oxosulfanium

[4-bromo-3-(trifluoromethyl)phenyl]-oxosulfanium (PubChem CID 174512968) has the molecular formula C7H3BrF3OS+ and a molecular weight of 272.06 g/mol. Its IUPAC name is [4-bromo-3-(trifluoromethyl)phenyl]-oxosulfanium.

Molecular Properties

Compound Name[4-bromo-3-(trifluoromethyl)phenyl]-oxosulfanium
PubChem CID174512968
Molecular FormulaC7H3BrF3OS+
Molecular Weight272.06 g/mol
Exact Mass270.90
IUPAC Name[4-bromo-3-(trifluoromethyl)phenyl]-oxosulfanium
SMILESO=[S+]c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C7H3BrF3OS/c8-6-2-1-4(13-12)3-5(6)7(9,10)11/h1-3H/q+1
InChIKeyCSYUUPIZNIMWEV-UHFFFAOYSA-N
XLogP3.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.06
LogP ≤ 53.25
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-[4-bromo-3-(trifluoromethyl)phenyl]sulfonyl-2-(trifluoromethyl)benzene
CID 175050913
1-bromo-4-fluoro-2-(trifluoromethyl)benzene;ethane
CID 144882970
2-[4-bromo-3-(trifluoromethyl)phenyl]propan-2-ol
CID 131433063
4-bromo-N-[(3,5-difluorophenyl)methyl]-3-(trifluoromethyl)aniline
CID 105403156
4-bromo-N-(3-fluoropropyl)-3-(trifluoromethyl)aniline
CID 81106703
1-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)benzene
CID 154685385
4-bromo-N-[(3,5-dichlorophenyl)methyl]-3-(trifluoromethyl)aniline
CID 60789653
4-bromo-N-butyl-3-(trifluoromethyl)aniline
CID 43228567
1-[4-bromo-3-(trifluoromethyl)phenyl]-2,2-difluoroethanone
CID 130137126
N-[2-[4-bromo-3-(trifluoromethyl)anilino]ethyl]acetamide
CID 103604165
N-[4-bromo-3-(trifluoromethyl)phenyl]ethanesulfonamide
CID 3671592
1-[4-bromo-3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 114982493

Frequently Asked Questions

What is the IUPAC name of [4-bromo-3-(trifluoromethyl)phenyl]-oxosulfanium?
The IUPAC name of [4-bromo-3-(trifluoromethyl)phenyl]-oxosulfanium (CID 174512968) is [4-bromo-3-(trifluoromethyl)phenyl]-oxosulfanium.
What is the SMILES notation for [4-bromo-3-(trifluoromethyl)phenyl]-oxosulfanium?
The canonical SMILES for [4-bromo-3-(trifluoromethyl)phenyl]-oxosulfanium is O=[S+]c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of [4-bromo-3-(trifluoromethyl)phenyl]-oxosulfanium?
The InChIKey is CSYUUPIZNIMWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF3OS/c8-6-2-1-4(13-12)3-5(6)7(9,10)11/h1-3H/q+1.
What are the key properties of [4-bromo-3-(trifluoromethyl)phenyl]-oxosulfanium?
[4-bromo-3-(trifluoromethyl)phenyl]-oxosulfanium has a molecular weight of 272.06 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-3-(trifluoromethyl)phenyl]-oxosulfanium is sourced from PubChem (CID 174512968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).