2-(1,3-dithiolan-2-yl)cyclopentan-1-one

C8H12OS2 — CID 3040117

IUPAC2-(1,3-dithiolan-2-yl)cyclopentan-1-one
SMILESO=C1CCCC1C1SCCS1
InChIInChI=1S/C8H12OS2/c9-7-3-1-2-6(7)8-10-4-5-11-8/h6,8H,1-5H2
InChIKeyHOFFZVOTWVWHRK-UHFFFAOYSA-N
MW188.32 g/mol
LogP2.16
Rot. Bonds1

About 2-(1,3-dithiolan-2-yl)cyclopentan-1-one

2-(1,3-dithiolan-2-yl)cyclopentan-1-one (PubChem CID 3040117) has the molecular formula C8H12OS2 and a molecular weight of 188.32 g/mol. Its IUPAC name is 2-(1,3-dithiolan-2-yl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(1,3-dithiolan-2-yl)cyclopentan-1-one
PubChem CID3040117
Molecular FormulaC8H12OS2
Molecular Weight188.32 g/mol
Exact Mass188.03
IUPAC Name2-(1,3-dithiolan-2-yl)cyclopentan-1-one
SMILESO=C1CCCC1C1SCCS1
InChIInChI=1S/C8H12OS2/c9-7-3-1-2-6(7)8-10-4-5-11-8/h6,8H,1-5H2
InChIKeyHOFFZVOTWVWHRK-UHFFFAOYSA-N
XLogP2.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.32
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclohexanone, 2-(1,3-dithiolan-2-yl)-
CID 3040118
2-[Bis(methylsulfanyl)methyl]cyclopentan-1-one
CID 13515901
3-(1,3-Dithian-2-yl)cyclopentan-1-one
CID 12473106
1-Thiaspiro[4.4]nonan-6-one
CID 10931689
3-(2-Methyl-1,3-dithian-2-yl)cyclopentan-1-one
CID 134978533
1-Cyclopentyl-2-(thiolan-2-yl)ethanone
CID 18547429
1-Cyclopentyl-2-(thiolan-1-ium-1-yl)ethanone
CID 88008725
4-Ethylsulfanyl-2-methylcyclopentan-1-one
CID 91450492
(1'R,5'R)-spiro[1,3-dithiolane-2,2'-bicyclo[3.1.0]hexane]-3'-one
CID 139533041
2-(Propylsulfanylmethyl)cyclopentan-1-one
CID 139770358
Spiro[1,3-dithiolane-2,2'-bicyclo[3.1.0]hexane]-3'-one
CID 155337305
(6S)-6-methyl-1,4-dithiaspiro[4.4]nonan-9-one
CID 173900923

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dithiolan-2-yl)cyclopentan-1-one?
The IUPAC name of 2-(1,3-dithiolan-2-yl)cyclopentan-1-one (CID 3040117) is 2-(1,3-dithiolan-2-yl)cyclopentan-1-one.
What is the SMILES notation for 2-(1,3-dithiolan-2-yl)cyclopentan-1-one?
The canonical SMILES for 2-(1,3-dithiolan-2-yl)cyclopentan-1-one is O=C1CCCC1C1SCCS1.
What is the InChIKey of 2-(1,3-dithiolan-2-yl)cyclopentan-1-one?
The InChIKey is HOFFZVOTWVWHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12OS2/c9-7-3-1-2-6(7)8-10-4-5-11-8/h6,8H,1-5H2.
What are the key properties of 2-(1,3-dithiolan-2-yl)cyclopentan-1-one?
2-(1,3-dithiolan-2-yl)cyclopentan-1-one has a molecular weight of 188.32 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dithiolan-2-yl)cyclopentan-1-one is sourced from PubChem (CID 3040117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).