1-(4-bromophenyl)sulfanyl-3-thiophen-2-ylpropan-2-one

C13H11BrOS2 — CID 66056663

IUPAC1-(4-bromophenyl)sulfanyl-3-thiophen-2-ylpropan-2-one
SMILESO=C(CSc1ccc(Br)cc1)Cc1cccs1
InChIInChI=1S/C13H11BrOS2/c14-10-3-5-12(6-4-10)17-9-11(15)8-13-2-1-7-16-13/h1-7H,8-9H2
InChIKeyIFSIUJJFVBBYTA-UHFFFAOYSA-N
MW327.27 g/mol
LogP4.41
Rot. Bonds5

About 1-(4-bromophenyl)sulfanyl-3-thiophen-2-ylpropan-2-one

1-(4-bromophenyl)sulfanyl-3-thiophen-2-ylpropan-2-one (PubChem CID 66056663) has the molecular formula C13H11BrOS2 and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfanyl-3-thiophen-2-ylpropan-2-one.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfanyl-3-thiophen-2-ylpropan-2-one
PubChem CID66056663
Molecular FormulaC13H11BrOS2
Molecular Weight327.27 g/mol
Exact Mass325.94
IUPAC Name1-(4-bromophenyl)sulfanyl-3-thiophen-2-ylpropan-2-one
SMILESO=C(CSc1ccc(Br)cc1)Cc1cccs1
InChIInChI=1S/C13H11BrOS2/c14-10-3-5-12(6-4-10)17-9-11(15)8-13-2-1-7-16-13/h1-7H,8-9H2
InChIKeyIFSIUJJFVBBYTA-UHFFFAOYSA-N
XLogP4.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)sulfanyl-3-thiophen-2-ylpropan-2-one
CID 66145989
1-phenylsulfanyl-4-thiophen-2-ylbutan-2-one
CID 65142383
1-(4-bromophenyl)sulfanyl-3-(2,3-dichlorophenyl)propan-2-one
CID 107307922
N-[1-(4-bromophenyl)ethyl]-2-thiophen-2-ylacetamide
CID 42999115
1-thiophen-2-ylpentane-2,4-dione
CID 154402079
1-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 92769392
1-(2-bromophenyl)sulfanyl-4-thiophen-2-ylbutan-2-one
CID 66144425
1-(4-bromophenyl)sulfanyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-one
CID 66057055
ethane;methyl 2-(4-bromophenyl)sulfanylacetate
CID 143770591
1-thiophen-2-ylhexane-2,4-dione
CID 86201838
2-(4-bromophenyl)sulfanyl-1-(5-bromothiophen-2-yl)ethanone
CID 43412629
benzene;methane;2-thiophen-2-ylacetic acid
CID 70426530

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfanyl-3-thiophen-2-ylpropan-2-one?
The IUPAC name of 1-(4-bromophenyl)sulfanyl-3-thiophen-2-ylpropan-2-one (CID 66056663) is 1-(4-bromophenyl)sulfanyl-3-thiophen-2-ylpropan-2-one.
What is the SMILES notation for 1-(4-bromophenyl)sulfanyl-3-thiophen-2-ylpropan-2-one?
The canonical SMILES for 1-(4-bromophenyl)sulfanyl-3-thiophen-2-ylpropan-2-one is O=C(CSc1ccc(Br)cc1)Cc1cccs1.
What is the InChIKey of 1-(4-bromophenyl)sulfanyl-3-thiophen-2-ylpropan-2-one?
The InChIKey is IFSIUJJFVBBYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrOS2/c14-10-3-5-12(6-4-10)17-9-11(15)8-13-2-1-7-16-13/h1-7H,8-9H2.
What are the key properties of 1-(4-bromophenyl)sulfanyl-3-thiophen-2-ylpropan-2-one?
1-(4-bromophenyl)sulfanyl-3-thiophen-2-ylpropan-2-one has a molecular weight of 327.27 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfanyl-3-thiophen-2-ylpropan-2-one is sourced from PubChem (CID 66056663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).