2-phenylsulfanylcyclopentan-1-one

C11H12OS — CID 586052

IUPAC2-phenylsulfanylcyclopentan-1-one
SMILESO=C1CCCC1Sc1ccccc1
InChIInChI=1S/C11H12OS/c12-10-7-4-8-11(10)13-9-5-2-1-3-6-9/h1-3,5-6,11H,4,7-8H2
InChIKeyQNLDAYXGSRPMJX-UHFFFAOYSA-N
MW192.28 g/mol
LogP2.90
Rot. Bonds2

About 2-phenylsulfanylcyclopentan-1-one

2-phenylsulfanylcyclopentan-1-one (PubChem CID 586052) has the molecular formula C11H12OS and a molecular weight of 192.28 g/mol. Its IUPAC name is 2-phenylsulfanylcyclopentan-1-one.

Molecular Properties

Compound Name2-phenylsulfanylcyclopentan-1-one
PubChem CID586052
Molecular FormulaC11H12OS
Molecular Weight192.28 g/mol
Exact Mass192.06
IUPAC Name2-phenylsulfanylcyclopentan-1-one
SMILESO=C1CCCC1Sc1ccccc1
InChIInChI=1S/C11H12OS/c12-10-7-4-8-11(10)13-9-5-2-1-3-6-9/h1-3,5-6,11H,4,7-8H2
InChIKeyQNLDAYXGSRPMJX-UHFFFAOYSA-N
XLogP2.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanylcyclopentan-1-one?
The IUPAC name of 2-phenylsulfanylcyclopentan-1-one (CID 586052) is 2-phenylsulfanylcyclopentan-1-one.
What is the SMILES notation for 2-phenylsulfanylcyclopentan-1-one?
The canonical SMILES for 2-phenylsulfanylcyclopentan-1-one is O=C1CCCC1Sc1ccccc1.
What is the InChIKey of 2-phenylsulfanylcyclopentan-1-one?
The InChIKey is QNLDAYXGSRPMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12OS/c12-10-7-4-8-11(10)13-9-5-2-1-3-6-9/h1-3,5-6,11H,4,7-8H2.
What are the key properties of 2-phenylsulfanylcyclopentan-1-one?
2-phenylsulfanylcyclopentan-1-one has a molecular weight of 192.28 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanylcyclopentan-1-one is sourced from PubChem (CID 586052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).