3-(3-bromophenyl)sulfanylcyclopentan-1-one

C11H11BrOS — CID 64725068

IUPAC3-(3-bromophenyl)sulfanylcyclopentan-1-one
SMILESO=C1CCC(Sc2cccc(Br)c2)C1
InChIInChI=1S/C11H11BrOS/c12-8-2-1-3-10(6-8)14-11-5-4-9(13)7-11/h1-3,6,11H,4-5,7H2
InChIKeyGOSWFRMORCRFIR-UHFFFAOYSA-N
MW271.18 g/mol
LogP3.66
Rot. Bonds2

About 3-(3-bromophenyl)sulfanylcyclopentan-1-one

3-(3-bromophenyl)sulfanylcyclopentan-1-one (PubChem CID 64725068) has the molecular formula C11H11BrOS and a molecular weight of 271.18 g/mol. Its IUPAC name is 3-(3-bromophenyl)sulfanylcyclopentan-1-one.

Molecular Properties

Compound Name3-(3-bromophenyl)sulfanylcyclopentan-1-one
PubChem CID64725068
Molecular FormulaC11H11BrOS
Molecular Weight271.18 g/mol
Exact Mass269.97
IUPAC Name3-(3-bromophenyl)sulfanylcyclopentan-1-one
SMILESO=C1CCC(Sc2cccc(Br)c2)C1
InChIInChI=1S/C11H11BrOS/c12-8-2-1-3-10(6-8)14-11-5-4-9(13)7-11/h1-3,6,11H,4-5,7H2
InChIKeyGOSWFRMORCRFIR-UHFFFAOYSA-N
XLogP3.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.18
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)sulfanylcyclopentan-1-one?
The IUPAC name of 3-(3-bromophenyl)sulfanylcyclopentan-1-one (CID 64725068) is 3-(3-bromophenyl)sulfanylcyclopentan-1-one.
What is the SMILES notation for 3-(3-bromophenyl)sulfanylcyclopentan-1-one?
The canonical SMILES for 3-(3-bromophenyl)sulfanylcyclopentan-1-one is O=C1CCC(Sc2cccc(Br)c2)C1.
What is the InChIKey of 3-(3-bromophenyl)sulfanylcyclopentan-1-one?
The InChIKey is GOSWFRMORCRFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrOS/c12-8-2-1-3-10(6-8)14-11-5-4-9(13)7-11/h1-3,6,11H,4-5,7H2.
What are the key properties of 3-(3-bromophenyl)sulfanylcyclopentan-1-one?
3-(3-bromophenyl)sulfanylcyclopentan-1-one has a molecular weight of 271.18 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)sulfanylcyclopentan-1-one is sourced from PubChem (CID 64725068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).