[4-(2-bromoacetyl)phenyl]methoxy thiohypobromite

C9H8Br2O2S — CID 90191360

IUPAC[4-(2-bromoacetyl)phenyl]methoxy thiohypobromite
SMILESO=C(CBr)c1ccc(COSBr)cc1
InChIInChI=1S/C9H8Br2O2S/c10-5-9(12)8-3-1-7(2-4-8)6-13-14-11/h1-4H,5-6H2
InChIKeyQFWLLMKDVFPMKQ-UHFFFAOYSA-N
MW340.04 g/mol
LogP3.74
Rot. Bonds5

About [4-(2-bromoacetyl)phenyl]methoxy thiohypobromite

[4-(2-bromoacetyl)phenyl]methoxy thiohypobromite (PubChem CID 90191360) has the molecular formula C9H8Br2O2S and a molecular weight of 340.04 g/mol. Its IUPAC name is [4-(2-bromoacetyl)phenyl]methoxy thiohypobromite.

Molecular Properties

Compound Name[4-(2-bromoacetyl)phenyl]methoxy thiohypobromite
PubChem CID90191360
Molecular FormulaC9H8Br2O2S
Molecular Weight340.04 g/mol
Exact Mass337.86
IUPAC Name[4-(2-bromoacetyl)phenyl]methoxy thiohypobromite
SMILESO=C(CBr)c1ccc(COSBr)cc1
InChIInChI=1S/C9H8Br2O2S/c10-5-9(12)8-3-1-7(2-4-8)6-13-14-11/h1-4H,5-6H2
InChIKeyQFWLLMKDVFPMKQ-UHFFFAOYSA-N
XLogP3.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.04
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-[4-(sulfanylmethyl)phenyl]ethanone
CID 57052868
sodium 2-bromo-1-(4-hydroxyphenyl)ethanone
CID 22027058
4-(2-bromoacetyl)benzoic acid
CID 2756836
4-(2-bromoacetyl)benzoyl chloride
CID 57372356
2-bromo-1-(4-butoxyphenyl)ethanone
CID 11288719
2-bromo-1-[4-(8-hydroxyoctyl)phenyl]ethanone
CID 86722515
azane;2-bromo-1-(4-methoxyphenyl)ethanone
CID 118975954
2-bromo-1-[4-[(4-cyclohexylphenyl)methoxy]phenyl]ethanone
CID 58782300
2-bromo-1-phenylethanone;hydrochloride
CID 172844250
(2S)-2-amino-3-[4-(2-bromoacetyl)phenyl]propanoic acid
CID 57148038
2-bromo-1-(4-octylphenyl)ethanone
CID 11301375
2-bromo-1-[4-(4-bromophenoxy)phenyl]ethanone
CID 59341202

Frequently Asked Questions

What is the IUPAC name of [4-(2-bromoacetyl)phenyl]methoxy thiohypobromite?
The IUPAC name of [4-(2-bromoacetyl)phenyl]methoxy thiohypobromite (CID 90191360) is [4-(2-bromoacetyl)phenyl]methoxy thiohypobromite.
What is the SMILES notation for [4-(2-bromoacetyl)phenyl]methoxy thiohypobromite?
The canonical SMILES for [4-(2-bromoacetyl)phenyl]methoxy thiohypobromite is O=C(CBr)c1ccc(COSBr)cc1.
What is the InChIKey of [4-(2-bromoacetyl)phenyl]methoxy thiohypobromite?
The InChIKey is QFWLLMKDVFPMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2O2S/c10-5-9(12)8-3-1-7(2-4-8)6-13-14-11/h1-4H,5-6H2.
What are the key properties of [4-(2-bromoacetyl)phenyl]methoxy thiohypobromite?
[4-(2-bromoacetyl)phenyl]methoxy thiohypobromite has a molecular weight of 340.04 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bromoacetyl)phenyl]methoxy thiohypobromite is sourced from PubChem (CID 90191360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).