(2,5-dibromophenyl)-(thiolan-2-yl)methanone

C11H10Br2OS — CID 114373340

IUPAC(2,5-dibromophenyl)-(thiolan-2-yl)methanone
SMILESO=C(c1cc(Br)ccc1Br)C1CCCS1
InChIInChI=1S/C11H10Br2OS/c12-7-3-4-9(13)8(6-7)11(14)10-2-1-5-15-10/h3-4,6,10H,1-2,5H2
InChIKeyMCDOWXDAULSOIO-UHFFFAOYSA-N
MW350.08 g/mol
LogP4.29
Rot. Bonds2

About (2,5-dibromophenyl)-(thiolan-2-yl)methanone

(2,5-dibromophenyl)-(thiolan-2-yl)methanone (PubChem CID 114373340) has the molecular formula C11H10Br2OS and a molecular weight of 350.08 g/mol. Its IUPAC name is (2,5-dibromophenyl)-(thiolan-2-yl)methanone.

Molecular Properties

Compound Name(2,5-dibromophenyl)-(thiolan-2-yl)methanone
PubChem CID114373340
Molecular FormulaC11H10Br2OS
Molecular Weight350.08 g/mol
Exact Mass347.88
IUPAC Name(2,5-dibromophenyl)-(thiolan-2-yl)methanone
SMILESO=C(c1cc(Br)ccc1Br)C1CCCS1
InChIInChI=1S/C11H10Br2OS/c12-7-3-4-9(13)8(6-7)11(14)10-2-1-5-15-10/h3-4,6,10H,1-2,5H2
InChIKeyMCDOWXDAULSOIO-UHFFFAOYSA-N
XLogP4.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.08
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Bromophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one
CID 3744428
1-(4-Bromophenyl)-2-(ethylsulfanyl)ethan-1-one
CID 43801944
2-Benzylsulfanyl-1-(4-bromophenyl)ethanone
CID 15314149
(3-Bromophenyl)(2-thienyl)methanone
CID 5305254
1-(4-Bromophenyl)-2-(1,3-dithiolan-2-ylidene)ethanone
CID 11312652
1-(3-Bromophenyl)-2-(trifluoromethylsulfanyl)ethanone
CID 155931400
1-(2-Bromophenyl)-2-(trifluoromethylsulfanyl)ethanone
CID 155931549
1-(4-Bromophenyl)-2-(cyclohexylsulfanyl)ethan-1-one
CID 727047
1-(2-Bromophenyl)-2-phenylsulfanylethanone
CID 2359798
1-(2-Bromophenyl)-2-cyclopentylsulfanylethanone
CID 2381340
[2-(4-Bromophenyl)-2-oxoethyl](dimethyl)sulfanium bromide
CID 10860740
(3-Bromophenyl)-(4-bromothiophen-3-yl)methanone
CID 10831406

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromophenyl)-(thiolan-2-yl)methanone?
The IUPAC name of (2,5-dibromophenyl)-(thiolan-2-yl)methanone (CID 114373340) is (2,5-dibromophenyl)-(thiolan-2-yl)methanone.
What is the SMILES notation for (2,5-dibromophenyl)-(thiolan-2-yl)methanone?
The canonical SMILES for (2,5-dibromophenyl)-(thiolan-2-yl)methanone is O=C(c1cc(Br)ccc1Br)C1CCCS1.
What is the InChIKey of (2,5-dibromophenyl)-(thiolan-2-yl)methanone?
The InChIKey is MCDOWXDAULSOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2OS/c12-7-3-4-9(13)8(6-7)11(14)10-2-1-5-15-10/h3-4,6,10H,1-2,5H2.
What are the key properties of (2,5-dibromophenyl)-(thiolan-2-yl)methanone?
(2,5-dibromophenyl)-(thiolan-2-yl)methanone has a molecular weight of 350.08 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromophenyl)-(thiolan-2-yl)methanone is sourced from PubChem (CID 114373340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).