3-(3-bromophenyl)sulfinylcyclobutan-1-one;ethane

C12H15BrO2S — CID 167494047

IUPAC3-(3-bromophenyl)sulfinylcyclobutan-1-one;ethane
SMILESCC.O=C1CC(S(=O)c2cccc(Br)c2)C1
InChIInChI=1S/C10H9BrO2S.C2H6/c11-7-2-1-3-9(4-7)14(13)10-5-8(12)6-10;1-2/h1-4,10H,5-6H2;1-2H3
InChIKeyCQWKZXBPVSALHM-UHFFFAOYSA-N
MW303.22 g/mol
LogP3.31
Rot. Bonds2

About 3-(3-bromophenyl)sulfinylcyclobutan-1-one;ethane

3-(3-bromophenyl)sulfinylcyclobutan-1-one;ethane (PubChem CID 167494047) has the molecular formula C12H15BrO2S and a molecular weight of 303.22 g/mol. Its IUPAC name is 3-(3-bromophenyl)sulfinylcyclobutan-1-one;ethane.

Molecular Properties

Compound Name3-(3-bromophenyl)sulfinylcyclobutan-1-one;ethane
PubChem CID167494047
Molecular FormulaC12H15BrO2S
Molecular Weight303.22 g/mol
Exact Mass302.00
IUPAC Name3-(3-bromophenyl)sulfinylcyclobutan-1-one;ethane
SMILESCC.O=C1CC(S(=O)c2cccc(Br)c2)C1
InChIInChI=1S/C10H9BrO2S.C2H6/c11-7-2-1-3-9(4-7)14(13)10-5-8(12)6-10;1-2/h1-4,10H,5-6H2;1-2H3
InChIKeyCQWKZXBPVSALHM-UHFFFAOYSA-N
XLogP3.31
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.22
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 64723864
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2-(3-bromophenyl)sulfinylcyclopentan-1-amine
CID 64659560
3-(3-bromophenyl)sulfinyloxan-4-amine
CID 64659555
[2-(3-bromophenyl)sulfinylcyclohexyl]methanamine
CID 81334124
1-bromo-3-[(S)-butylsulfinyl]benzene
CID 95969928
2-(3-bromophenyl)sulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64658968
2-(3-bromophenyl)sulfinyl-4-tert-butyl-N-methylcyclohexan-1-amine
CID 64657799
2-(3-bromophenyl)sulfinyl-N,4-diethylcyclohexan-1-amine
CID 64658970
2-(3-bromophenyl)sulfinylpropanenitrile
CID 64689604
N-[2-(3-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine
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2-(3-bromophenyl)sulfinylethanamine
CID 62803372

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)sulfinylcyclobutan-1-one;ethane?
The IUPAC name of 3-(3-bromophenyl)sulfinylcyclobutan-1-one;ethane (CID 167494047) is 3-(3-bromophenyl)sulfinylcyclobutan-1-one;ethane.
What is the SMILES notation for 3-(3-bromophenyl)sulfinylcyclobutan-1-one;ethane?
The canonical SMILES for 3-(3-bromophenyl)sulfinylcyclobutan-1-one;ethane is CC.O=C1CC(S(=O)c2cccc(Br)c2)C1.
What is the InChIKey of 3-(3-bromophenyl)sulfinylcyclobutan-1-one;ethane?
The InChIKey is CQWKZXBPVSALHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO2S.C2H6/c11-7-2-1-3-9(4-7)14(13)10-5-8(12)6-10;1-2/h1-4,10H,5-6H2;1-2H3.
What are the key properties of 3-(3-bromophenyl)sulfinylcyclobutan-1-one;ethane?
3-(3-bromophenyl)sulfinylcyclobutan-1-one;ethane has a molecular weight of 303.22 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)sulfinylcyclobutan-1-one;ethane is sourced from PubChem (CID 167494047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).