1-(2-bromophenyl)sulfanyl-4-thiophen-2-ylbutan-2-one

C14H13BrOS2 — CID 66144425

IUPAC1-(2-bromophenyl)sulfanyl-4-thiophen-2-ylbutan-2-one
SMILESO=C(CCc1cccs1)CSc1ccccc1Br
InChIInChI=1S/C14H13BrOS2/c15-13-5-1-2-6-14(13)18-10-11(16)7-8-12-4-3-9-17-12/h1-6,9H,7-8,10H2
InChIKeyQWKKJHKKRJENDE-UHFFFAOYSA-N
MW341.30 g/mol
LogP4.80
Rot. Bonds6

About 1-(2-bromophenyl)sulfanyl-4-thiophen-2-ylbutan-2-one

1-(2-bromophenyl)sulfanyl-4-thiophen-2-ylbutan-2-one (PubChem CID 66144425) has the molecular formula C14H13BrOS2 and a molecular weight of 341.30 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfanyl-4-thiophen-2-ylbutan-2-one.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfanyl-4-thiophen-2-ylbutan-2-one
PubChem CID66144425
Molecular FormulaC14H13BrOS2
Molecular Weight341.30 g/mol
Exact Mass339.96
IUPAC Name1-(2-bromophenyl)sulfanyl-4-thiophen-2-ylbutan-2-one
SMILESO=C(CCc1cccs1)CSc1ccccc1Br
InChIInChI=1S/C14H13BrOS2/c15-13-5-1-2-6-14(13)18-10-11(16)7-8-12-4-3-9-17-12/h1-6,9H,7-8,10H2
InChIKeyQWKKJHKKRJENDE-UHFFFAOYSA-N
XLogP4.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-bromophenyl)sulfanyl-4-thiophen-2-ylbutan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluorophenyl)sulfanyl-4-thiophen-2-ylbutan-2-one
CID 66053237
1-phenylsulfanyl-4-thiophen-2-ylbutan-2-one
CID 65142383
2-(2-bromophenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 36988394
2-(2-bromophenyl)sulfanyl-1-(3-bromothiophen-2-yl)ethanone
CID 43654841
1-tert-butylsulfanyl-4-thiophen-2-ylbutan-2-one
CID 65133641
1-(2-bromophenyl)sulfanylundecan-2-one
CID 66143454
5-methyl-1-thiophen-2-ylhexan-3-one
CID 63776280
7-amino-1-thiophen-2-yloctan-3-one
CID 116610138
5-methyl-1-thiophen-2-ylheptan-3-one
CID 114973234
1-(3-bromo-2-methylphenyl)-3-thiophen-2-ylpropan-1-one
CID 114973264
1-(2-bromophenyl)sulfanyl-3-(2,6-dichlorophenyl)propan-2-one
CID 66143656
1-naphthalen-1-yl-4-thiophen-2-ylbutan-2-one
CID 105101445

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfanyl-4-thiophen-2-ylbutan-2-one?
The IUPAC name of 1-(2-bromophenyl)sulfanyl-4-thiophen-2-ylbutan-2-one (CID 66144425) is 1-(2-bromophenyl)sulfanyl-4-thiophen-2-ylbutan-2-one.
What is the SMILES notation for 1-(2-bromophenyl)sulfanyl-4-thiophen-2-ylbutan-2-one?
The canonical SMILES for 1-(2-bromophenyl)sulfanyl-4-thiophen-2-ylbutan-2-one is O=C(CCc1cccs1)CSc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)sulfanyl-4-thiophen-2-ylbutan-2-one?
The InChIKey is QWKKJHKKRJENDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrOS2/c15-13-5-1-2-6-14(13)18-10-11(16)7-8-12-4-3-9-17-12/h1-6,9H,7-8,10H2.
What are the key properties of 1-(2-bromophenyl)sulfanyl-4-thiophen-2-ylbutan-2-one?
1-(2-bromophenyl)sulfanyl-4-thiophen-2-ylbutan-2-one has a molecular weight of 341.30 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)sulfanyl-4-thiophen-2-ylbutan-2-one is sourced from PubChem (CID 66144425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).