2-(4-bromophenyl)sulfinyl-1-(5-chlorothiophen-2-yl)ethanone

C12H8BrClO2S2 — CID 64640094

IUPAC2-(4-bromophenyl)sulfinyl-1-(5-chlorothiophen-2-yl)ethanone
SMILESO=C(CS(=O)c1ccc(Br)cc1)c1ccc(Cl)s1
InChIInChI=1S/C12H8BrClO2S2/c13-8-1-3-9(4-2-8)18(16)7-10(15)11-5-6-12(14)17-11/h1-6H,7H2
InChIKeyBMFAZYCYNWGUMQ-UHFFFAOYSA-N
MW363.69 g/mol
LogP4.15
Rot. Bonds4

About 2-(4-bromophenyl)sulfinyl-1-(5-chlorothiophen-2-yl)ethanone

2-(4-bromophenyl)sulfinyl-1-(5-chlorothiophen-2-yl)ethanone (PubChem CID 64640094) has the molecular formula C12H8BrClO2S2 and a molecular weight of 363.69 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfinyl-1-(5-chlorothiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfinyl-1-(5-chlorothiophen-2-yl)ethanone
PubChem CID64640094
Molecular FormulaC12H8BrClO2S2
Molecular Weight363.69 g/mol
Exact Mass361.88
IUPAC Name2-(4-bromophenyl)sulfinyl-1-(5-chlorothiophen-2-yl)ethanone
SMILESO=C(CS(=O)c1ccc(Br)cc1)c1ccc(Cl)s1
InChIInChI=1S/C12H8BrClO2S2/c13-8-1-3-9(4-2-8)18(16)7-10(15)11-5-6-12(14)17-11/h1-6H,7H2
InChIKeyBMFAZYCYNWGUMQ-UHFFFAOYSA-N
XLogP4.15
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.69
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-ethylsulfinylethanone
CID 64640067
1-(5-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfinylethanone
CID 115478142
2-(4-bromophenyl)sulfinyl-1-(2,5-dichlorophenyl)ethanone
CID 64641310
2-(4-bromophenyl)sulfinylacetamide
CID 130650723
5-bromo-1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridin-2-one
CID 60665447
2-(4-tert-butylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone
CID 64638488
N-[(4-bromophenyl)methyl]-5-chlorothiophene-2-carboxamide
CID 62276684
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] (E)-3-(4-bromophenyl)prop-2-enoate
CID 7971986
2-(4-bromo-2-chlorophenoxy)-1-(5-chlorothiophen-2-yl)ethanone
CID 60624989
1-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)sulfinylethanone
CID 64639499
1-(5-chlorothiophen-2-yl)-2-(3-methoxypropylsulfinyl)ethanone
CID 64636451
1-(5-chlorothiophen-2-yl)butane-1,3-dione
CID 43439048

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfinyl-1-(5-chlorothiophen-2-yl)ethanone?
The IUPAC name of 2-(4-bromophenyl)sulfinyl-1-(5-chlorothiophen-2-yl)ethanone (CID 64640094) is 2-(4-bromophenyl)sulfinyl-1-(5-chlorothiophen-2-yl)ethanone.
What is the SMILES notation for 2-(4-bromophenyl)sulfinyl-1-(5-chlorothiophen-2-yl)ethanone?
The canonical SMILES for 2-(4-bromophenyl)sulfinyl-1-(5-chlorothiophen-2-yl)ethanone is O=C(CS(=O)c1ccc(Br)cc1)c1ccc(Cl)s1.
What is the InChIKey of 2-(4-bromophenyl)sulfinyl-1-(5-chlorothiophen-2-yl)ethanone?
The InChIKey is BMFAZYCYNWGUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClO2S2/c13-8-1-3-9(4-2-8)18(16)7-10(15)11-5-6-12(14)17-11/h1-6H,7H2.
What are the key properties of 2-(4-bromophenyl)sulfinyl-1-(5-chlorothiophen-2-yl)ethanone?
2-(4-bromophenyl)sulfinyl-1-(5-chlorothiophen-2-yl)ethanone has a molecular weight of 363.69 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfinyl-1-(5-chlorothiophen-2-yl)ethanone is sourced from PubChem (CID 64640094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).