(3-oxo-3-phenylpropyl) thiohypobromite

C9H9BrOS — CID 141050079

IUPAC(3-oxo-3-phenylpropyl) thiohypobromite
SMILESO=C(CCSBr)c1ccccc1
InChIInChI=1S/C9H9BrOS/c10-12-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyQHSWRTMHCOUYBS-UHFFFAOYSA-N
MW245.14 g/mol
LogP3.30
Rot. Bonds4

About (3-oxo-3-phenylpropyl) thiohypobromite

(3-oxo-3-phenylpropyl) thiohypobromite (PubChem CID 141050079) has the molecular formula C9H9BrOS and a molecular weight of 245.14 g/mol. Its IUPAC name is (3-oxo-3-phenylpropyl) thiohypobromite.

Molecular Properties

Compound Name(3-oxo-3-phenylpropyl) thiohypobromite
PubChem CID141050079
Molecular FormulaC9H9BrOS
Molecular Weight245.14 g/mol
Exact Mass243.96
IUPAC Name(3-oxo-3-phenylpropyl) thiohypobromite
SMILESO=C(CCSBr)c1ccccc1
InChIInChI=1S/C9H9BrOS/c10-12-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyQHSWRTMHCOUYBS-UHFFFAOYSA-N
XLogP3.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.14
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(3-oxo-3-phenylpropyl)sulfanylethylsulfanyl]-1-phenylpropan-1-one
CID 4144349
1,15-diphenylpentadecane-1,15-dione
CID 159981687
1-phenylbutan-1-one
CID 10315
1,8-diphenyloctane-1,4,8-trione
CID 140639847
3-naphthalen-1-ylsulfanyl-1-phenylpropan-1-one
CID 12667048
S-(3-oxo-3-phenylpropyl) 3-methylbutanethioate
CID 122700215
4-oxo-4-phenylbutanoyl chloride
CID 10932389
4-oxo-4-phenylbutanethioic S-acid
CID 54460780
1-phenylbutan-1-one;hydrobromide
CID 139638507
ethane;3-hydroxy-1-phenylpropan-1-one
CID 90864393
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423

Frequently Asked Questions

What is the IUPAC name of (3-oxo-3-phenylpropyl) thiohypobromite?
The IUPAC name of (3-oxo-3-phenylpropyl) thiohypobromite (CID 141050079) is (3-oxo-3-phenylpropyl) thiohypobromite.
What is the SMILES notation for (3-oxo-3-phenylpropyl) thiohypobromite?
The canonical SMILES for (3-oxo-3-phenylpropyl) thiohypobromite is O=C(CCSBr)c1ccccc1.
What is the InChIKey of (3-oxo-3-phenylpropyl) thiohypobromite?
The InChIKey is QHSWRTMHCOUYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrOS/c10-12-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of (3-oxo-3-phenylpropyl) thiohypobromite?
(3-oxo-3-phenylpropyl) thiohypobromite has a molecular weight of 245.14 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxo-3-phenylpropyl) thiohypobromite is sourced from PubChem (CID 141050079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).